user-k33231a@aalto.fi

COMP Groups Publications

Complex Systems and Materials publications since 2013

2016 (13)

  1. Budrikis, Z., and Zapperi, S., Temperature-Dependent Adhesion of Graphene Suspended on a Trench, Nano Letters 16, pp. 387-391 (2016). http://dx.doi.org/10.1021/acs.nanolett.5b03958
  2. Farhan. A, Scholl, A., Petersen, C.F., Anghinolfi, L., Wuth, C., Dhuey, S., Chopdekar, R.V., Mellado, P., Alava, M.J., and van Dijken, S., Thermodynamics of emergent magnetic charge screening in artificial spin ice, Nature Communications 7, 12635 (2016). http://www.nature.com/articles/ncomms12635
  3. Lehtinen, A., Costantini, G., Alava, M.J., Zapperi, S., and Laurson, L., Glassy features of crystal plasticity, Physical Review B 94, 064101 (2016). http://dx.doi.org/10.1103/PhysRevB.94.064101
  4. Janicevic, S., Laurson, L., Måløy, K.J., Santucci, S., and Alava, M., Interevent Correlations from Avalanches Hiding Below the Detection Threshold, Physical Review Letters 117, 230601 (2016). http://dx.doi.org/10.1103/PhysRevLett.117.230601
  5. La Porta, C.A.M., and Zapperi, S., Biophysical processes in fibrosis: Comment on: `Towards a unified approach in the modeling of fibrosis: A review with research perspectives` by Carlo Bianca and Martine Ben Amar, Physics of Life Reviews 17, pp. 103-104 (2016). http://dx.doi.org/10.1016/j.plrev.2016.04.007
  6. Ovaska, M., Paananen, T., Laurson, L., and Alava, M. J., Collective dynamics of dislocations interacting with mobile solute atoms, Journal of Statistical Mechanics: Theory and Experiment 043204, 1-24 (2016). http://dx.doi.org/10.1088/1742-5468/2016/04/043204
  7. Koivisto, J., Dalbe M.-J., Alava M.J. and Santucci, S., Path (un)predictability of two interacting cracks in polycarbonate sheets using Digital Image Correlation, Scientific Reports 6, 32278 (2016). http://dx.doi.org/10.1038/srep32278
  8. Leliaert, J., Van de Wiele, B., Vansteenkiste, A., Laurson, L., Durin, G., Dupre, L., and Van Waeyenberge, B., Creep turns linear in narrow ferromagnetic nanostrips, Scientific Reports 6, 20472 (2016). http://www.nature.com/articles/srep20472
  9. Estevez, V., and Laurson, L., Magnetic domain-wall dynamics in wide permalloy strips, Physical Review B 93, 064403 (2016). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.064403
  10. Lehtinen, A., Cranberg, F., Laurson, L., Nordlund, K., and Alava, M. J., Multiscale modeling of dislocation-precipitate interactions in Fe: From molecular dynamics to discrete dislocations, Physical Review E 93, 013309 (2016). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.93.013309
  11. Rissanen, I., and Laurson, L., Coarsening dynamics of topological defects in thin permalloy films, Physical Review B 94, 144428 (2016). http://dx.doi.org/10.1103/PhysRevB.94.144428
  12. Costantini, G., Budrikis, Z.,Taloni, A.,Buell, A., Zapperi, S., and La Porta, C.A.M., Fluctuations in Protein Aggregation: Design of Preclinical Screening for Early Diagnosis of Neurodegenerative Disease, Physical Review Applied 6, 034012 (2016). http://dx.doi.org/10.1103/PhysRevApplied.6.034012
  13. Koivisto, J., Ovaska, M., Miksic, A., Laurson, L., and Alava, M.J., Predicting sample lifetimes in creep fracture of heterogeneous materials, Physical Review E 94, 023002 (2016). http://dx.doi.org/10.1103/PhysRevE.94.023002

2015 (27)

  1. Mäkinen, T., Miksic, A., Ovaska, M, and Alava M.J., Avalanches in Wood Compression, Physical Review Letters 115, 055501 (2015). http://dx.doi.org/10.1103/PhysRevLett.115.055501
  2. Korhonen, M; Mohtaschemi, M; Puisto, A; Illa, X; Alava, MJ, Apparent wall slip in non-Brownian hard-sphere suspensions, The Europen Physical Journal E 38, pp. 1-9 (2015). http://dx.doi.org/10.1140/epje/i2015-15046-y
  3. Bertalan, Z., Budrikis, Z., La Porta, C.A.M., and Zapperi, S., Role of the Number of Microtubules in Chromosome Segregation during Cell Division, PLoS ONE 10, e0141305 (2015). http://dx.doi.org/10.1371/journal.pone.0141305
  4. Negri, C., Sellerio, A.L., Zapperi, S., and Miguel. M. Carmen, Deformation and failure of curved colloidal crystal shells, Proceedings of the National Academy of Sciences 112, pp. 14545-14550 (2015). http://dx.doi.org/10.1073/pnas.1518258112
  5. Sellerio, A.L., Ciusani , E., Ben-Moshe , N.B., Coco, S., Piccinini, A., Myers, C.R., Sethna, J.P., Giampietro, C., Zapperi, S., and La Porta, C.A.M., Overshoot during phenotypic switching of cancer cell populations, Scientific Reports 5, 15464 (2015). http://dx.doi.org/10.1038/srep15464
  6. Taloni, A., Ben Amar, M., Zapperi, S., and La Porta, C.A.M., The role of pressure in cancer growth, European Physical Journal Plus 130, 224 (2015). http://dx.doi.org/10.1140/epjp/i2015-15224-0
  7. Budrikis, Z.. Bertalan, Z., Sellerio, A.L., and Zapperi, S., Wrinkle motifs in thin films, Scientific Reports 5, 8938 (2015). http://dx.doi.org/10.1038/srep08938
  8. Taloni, A., Benassi, A., Sandfeld, S., and Zapperi, S., Scalar model for frictional precursors dynamics, Scientific Reports 5, 8086 (2015). http://dx.doi.org/10.1038/srep08086
  9. Sandfeld, S., Budrikis, Z., Zapperi, S., and Fernandez Castellanos, D., Avalanches, loading and finite size effects in 2D amorphous plasticity: results from a finite element model, Journal of Statistical Mechanics: Theory and Experiment 02, P02011 (2015). http://dx.doi.org/10.1088/1742-5468/2015/02/P02011
  10. Taloni, A., Kardash, E., Umut Salman, O., Truskinovsky, L., Zapperi, S., and La Porta, C.A.M., Volume Changes During Active Shape Fluctuations in Cells, Physical Review Letters 114, 208101 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.208101
  11. Sellerio, A.L., Taloni, A. and Zapperi, S., Fracture Size Effects in Nanoscale Materials: The Case of Graphene, Physical Review Applied 4, 024011 (2015). http://dx.doi.org/10.1103/PhysRevApplied.4.024011
  12. Chen, Y.J., Zapperi, S., and Sethna, J.P., Crossover behavior in interface depinning, Physical Review E 92, 022146 (2015). http://dx.doi.org/10.1103/PhysRevE.92.022146
  13. Bertalan, Z., Budrikis, Z., La Porta, C.A.M., and Zapperi, S., Navigation Strategies of Motor Proteins on Decorated Tracks, PLoS ONE 10, e0136945 (2015). http://dx.doi.org/10.1371/journal.pone.0136945
  14. Herranen, T., and Laurson, L., Domain walls within domain walls in wide ferromagnetic strips, Physical Review B 92, 100405(R) (2015). http://dx.doi.org/10.1103/PhysRevB.92.100405
  15. Ervasti, MM; Fan, ZY; Uppstu, A; Krasheninnikov, AV; Harju, A, Silicon and silicon-nitrogen impurities in graphene: Structure, energetics, and effects on electronic transport, Physical Review B 92, pp. 235411 (2015). http://dx.doi.org/10.1103/PhysRevB.92.235412
  16. Janicevic, S., Ovaska, M., Alava, M.J., and Laurson, L., Avalanches in 2D dislocation systems without applied stresses, Journal of Statistical Mechanics: Theory and Experiment P07016, 1-10 (2015). http://dx.doi.org/10.1088/1742-5468/2015/07/P07016
  17. Ovaska, M., Laurson, L., and Alava, M.J., Quenched pinning and collective dislocation dynamics, Scientific Reports 5, 10580 (2015). http://www.nature.com/srep/2015/150529/srep10580/full/srep10580.html
  18. Leliaert, J., Van de Wiele, B., Vandermeulen, J., Coene, A., Vansteenkiste, A., Laurson, L., Durin, G., Van Waeyenberge, B., and Dupre, L., Thermal effects on transverse domain wall dynamics in magnetic nanostrips, Applied Physics Letters 106, 202401 (2015). http://dx.doi.org/10.1063/1.4921421
  19. Claudio Manzato, Sanja Janicevic, and Mikko J. Alava, The random loading problem in fuse networks, THE EUROPEAN PHYSICAL JOURNAL B 88, 1-5 (2015). http://dx.doi.org/10.1140/epjb/e2015-60376-x
  20. La Porta, C. A. M., Ghilardi, A., Pasini, M., Laurson, L., Alava, M. J., Zapperi, S., and Ben Amar, M., Osmotic stress affects functional properties of human melanoma cell lines, European Physical Journal Plus 130, 64 (2015). http://dx.doi.org/10.1140/epjp/i2015-15064-x
  21. Chen, W., Foster, A.S., Alava, M.J., and Laurson, L., Stick-Slip Control in Nanoscale Boundary Lubrication by Surface Wettability, Physical Review Letters 114, 095502 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.095502
  22. Estevez, V., and Laurson, L., Head-to-head domain wall structures in wide Permalloy strips, Physical Review B 91, 054407 (2015). http://dx.doi.org/10.1103/PhysRevB.91.054407
  23. Manzato, C., Foster, A.S., Alava, M.J., and Laurson, L., Friction control with nematic lubricants via external fields, Physical Review E 91, 012504 (2015). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.91.012504
  24. Mauranen, A; Ovaska, M; Koivisto, J; Salminen, LI; Alava, M, Thermal conductivity of wood: effect of fatigue treatment, Wood Science and Technology 49, pp. 359-370 (2015). http://dx.doi.org/10.1007/s00226-015-0705-0
  25. Dalbe, M.-J., Koivisto, J., Vanel, L., Miksic, A., Ramos, O., Alava, M., and Santucci, S., Repulsion and Attraction between a Pair of Cracks in a Plastic Sheet, Physical Review Letters 114, 205501 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.205501
  26. Ovaska, M; Alava, MJ, Joint modeling of thermal creep and radiation damage interaction with gas permeability and release dynamics: The role of percolation, Physica A: Statistical Mechanics and its Applications 436, 538-546 (2015). http://dx.doi.org/10.1016/j.physa.2015.05.068
  27. Puisto, A; Mohtaschemi, M; Alava, MJ; Illa, X, Dynamic hysteresis in the rheology of complex fluids, Physical Review E 91, pp. 042314 (2015). http://dx.doi.org/10.1103/PhysRevE.91.042314

2014 (15)

  1. Zeng, H.-L., Lemoy R., Alava M.J., Financial interaction networks inferred from traded volumes, Journal of Statistical Mechanics: Theory and Experiment P07008, 1-17 (2014). http://dx.doi.org/10.1088/1742-5468/2014/07/P07008
  2. Manzato, C., Alava, M.J., and Zapperi, S., Damage accumulation in quasi-brittle fracture, Physical Review E 90, 012408 (2014). http://dx.doi.org/10.1103/PhysRevE.90.012408
  3. Mohtaschemi, M., Puisto, A., Illa, X., and M. J. Alava, Rheology dynamics of aggregating colloidal suspensions, Soft Matter 10, 2971-2981 (2014). http://dx.doi.org/10.1039/C3SM53082E
  4. Mohtaschemi, M., Dimic-Misic, K., Puisto, A., Korhonen, M., Maloney, T., Paltakari, J., and Alava M.J., Rheological characterization of fibrillated cellulose suspensions via bucket vane viscometer, Cellulose 21, 1305-1312 (2014). http://dx.doi.org/10.1007/s10570-014-0235-1
  5. Mohtaschemi, M., Sorvari, A., Puisto, A., Nuopponen, M., Seppälä, J., and Alava, M.J., The vane method and kinetic modeling: shear rheology of nanofibrillated cellulose suspensions, Cellulose 21, 3913-3925 (2014). http://dx.doi.org/10.1007/s10570-014-0409-x
  6. Alava, M.J., Laurson, L., and Zapperi, S., Crackling noise in plasticity, European Physical Journal Special Topics 223, 2353-2367 (2014). http://epjst.epj.org/articles/epjst/abs/2014/11/epjst22311020/epjst22311020.html
  7. Chen, W., Kulju, S., Foster, A.S., Alava, M.J., and Laurson, L., Boundary lubrication with a liquid crystal monolayer, Physical Review E 90, 012404 (2014). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.90.012404
  8. Leliaert, J., Van de Wiele, B., Vansteenkiste, A., Laurson, L., Durin, G., Dupre, L., and Van Waeyenberge, B., Current-driven domain wall mobility in polycrystalline Permalloy nanowires: A numerical study, Journal of Applied Physics 115, 233903 (2014). http://scitation.aip.org/content/aip/journal/jap/115/23/10.1063/1.4883297
  9. Ispanovity, P. D., Laurson, L., Zaiser, M., Groma, I., Zapperi, S., and Alava, M. J., Avalanches in 2D Dislocation Systems: Plastic Yielding Is Not Depinning, Physical Review Letters 112, 235501 (2014). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.235501
  10. Laurson, L., Durin, G., and Zapperi, S., Universality classes and crossover scaling of Barkhausen noise in thin films, Physical Review B 89, 104402 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.104402
  11. Leliaert, J., Van de Wiele, B., Vansteenkiste, A., Laurson, L., Durin, G., Dupre, L., and Van Waeyenberge, B., Influence of material defects on current-driven vortex domain wall mobility, Physical Review B 89, 064419 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.064419
  12. Dobrinevsky, A., Alava, M.J., Reichenbach, T., and Frey, E., Mobility-dependent selection of competing strategy associations, Physical Review E 89, 012721 (2014). http://dx.doi.org/10.1103/PhysRevE.89.012721
  13. Salminen, L.I., Liukkonen, S., and Alava, M.J., Ground Wood Fiber Length Distributions, Bioresources 9, 1168-1178 (2014). http://dx.doi.org/10.15376/biores.9.1.1168-1178
  14. Leliaert, J., Van de Wiele, B., Vansteenkiste, A., Laurson, L., Durin, G., Dupre, L., and Van Waeyenberge, B., A numerical approach to incorporate intrinsic material defects in micromagnetic simulations, Journal of Applied Physics 115, 17D102 (2014). http://scitation.aip.org/content/aip/journal/jap/115/17/10.1063/1.4854956
  15. Van de Wiele, B., Laurson, L., Franke, K., and van Dijken, S., Electric field driven magnetic domain wall motion in ferromagnetic-ferroelectric heterostructures, Applied Physics Letters 104, 012401 (2014). http://scitation.aip.org/content/aip/journal/apl/104/1/10.1063/1.4860963

2013 (9)

  1. Dimic-Misic, K., Puisto, A., Paltakari, J., Alava, M., and Maloney, T., The influence of shear on the dewatering of high consistency nanofibrillated cellulose furnishes, Cellulose 20, 1853-1864 (2013). http://dx.doi.org/10.1007/s10570-013-9964-9
  2. Laurson, L., Illa, X., Santucci, S., Tallakstad, K.-T., Maloy, K.J., and Alava, M.J., Evolution of the average avalanche shape with the universality class, Nature Communications 4, 2927 (2013). http://www.nature.com/ncomms/2013/131219/ncomms3927/full/ncomms3927.html
  3. Barai, P., Nukala, P.K.V.V., Alava, M.J., and Zapperi S., Role of the sample thickness in planar crack propagation, Physical Review E 88, 042411 (7 pages) (2013). http://link.aps.org/doi/10.1103/PhysRevE.88.042411
  4. Illa, X., Puisto, A., Lehtinen, A., Mohtaschemi, M., and Alava, M.J., Transient shear-banding in complex fluids, Physical Review E 87, 022307 (2013). http://link.aps.org/doi/10.1103/PhysRevE.87.022307
  5. Lehtinen, A., Mohtaschemi, M., Puisto, A., Illa, X., and Alava, M.J., Transient shear banding in viscoelastic Maxwell fluids, Soft Matter 9, 8041-9 (2013). http://dx.doi.org/10.1039/C3SM50988E
  6. Wu, L.-L., Zhou, H.-J., Alava, M., Aurell, E., and Orponen P., Witness of unsatisfiability for a random 3-satisfiability formula, Physical Review E 87, 052807 (2013). http://link.aps.org/doi/10.1103/PhysRevE.87.052807
  7. Hartonen T., and Alava, M., How important tasks are performed: peer review, Scientific Reports 3, 1679 (2013). http://dx.doi.org/10.1038/srep01679
  8. Van de Wiele, B., Laurson L., and Durin, G., The role of disorder in the domain wall dynamics of magnetic nanostrips, European Physical Journal B 86, 86 (2013). http://dx.doi.org/10.1140/epjb/e2012-30674-0
  9. Zeng. H.-L., Alava, M., Aurell. E., Hertz, J., Roudi, Y., Maximum likelihood reconstruction for Ising models with asynchronous updates, Physical Review Letters 110, 210601 (2013). http://link.aps.org/doi/10.1103/PhysRevLett.110.210601

Computational Soft and Molecular Matter publications since 2013

2016 (4)

  1. Caro, M. A., Laurila, T. and Lopez-Acevedo O., Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations, The Journal of Chemical Physics 145, 244504 (2016). http://aip.scitation.org/doi/abs/10.1063/1.4973001
  2. Caicedo-Dávila, S., Lopez-Acevedo, O., Velasco-Medina, J., and Avila, A., Density and localized states` impact on amorphous carbon electron transport mechanisms, Journal of Applied Physics 120, 214303-1-9 (2016). http://dx.doi.org/10.1063/1.4971010
  3. Giedraityte, Z., Lopez-Acevedo, O., Espinosa Leal, L.A., Pale, V., Sainio, J., Tripathi, T.S., and Karppinen, M., Three-Dimensional Uracil Network with Sodium as a Linker, Journal of Physical Chemistry C 120, pp. 26342-26349 (2016). http://dx.doi.org/10.1021/acs.jpcc.6b08986
  4. Sainio, S., Jiang, H., Caro, M.A., Koehne, J., Lopez-Acevedo, O., Koskinen, J., Meyyappan, M., and Laurila T, Structural morphology of carbon nanofibers grown on different substrates, Carbon 98, pp. 343-351 (2016). http://dx.doi.org/10.1016/j.carbon.2015.11.021

2015 (10)

  1. Espinosa Leal, L. A., Karpenko, A., Swasey, S., Gwinn, E. G., Rojas-Cervellera, V., Rovira., C., Lopez-Acevedo, O., The Role of Hydrogen Bonds in the Stabilization of Silver-Mediated Cytosine Tetramers, Journal of Physical Chemistry Letters 6, 4061-4066 (2015). http://dx.doi.org/10.1021/acs.jpclett.5b01864
  2. Schulz, S; Tanner, DP; OReilly, EP; Caro, MA; Martin, TL; Bagot, PAJ; Moody, MP; Tang, F; Griffiths, JT; Oehler, F; Kappers, MJ; Oliver, RA; Humphreys, CJ; Sutherland, D; Davies, MJ; Dawson, P, Structural, electronic, and optical properties of m-plane InGaN/GaN quantum wells: Insights from experiment and atomistic theory, Physical Review B 92, pp. 235419 (2015). http://dx.doi.org/10.1103/PhysRevB.92.235419
  3. Caro, M., Zhang, S., Riekkinen, T., Ylilammi, M., Moram, M., Lopez-Acevedo, O., Molarius, J.. Laurila, T., Piezoelectric coefficients and spontaneous polarization of ScAlN, Journal of Physics: Condensed Matter 27, 245901 (2015). http://dx.doi.org/10.1088/0953-8984/27/24/245901
  4. Espinosa Leal, L. A., Karpenko, A., Caro, M. A., Lopez-Acevedo, O., Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms, Physical Chemistry Chemical Physics 17, 31463-31471 (2015). http://dx.doi.org/10.1039/C5CP01211B
  5. Weissker H.-Ch., Lopez-Acevedo O., Whetten R. L., and López Lozano X., Optical Spectra of the Special Au144 Gold-Cluster Compounds: Sensitivity to Structure & Symmetry, Journal of Physical Chemistry 119, 11250 (2015). http://pubs.acs.org/doi/abs/10.1021/jp512310x
  6. Caro M. A., Määttää J., Lopez-Acevedo O., Laurila T., Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment, Journal of Applied Physics 117, 034502 (2015). http://dx.doi.org/10.1063/1.4905915
  7. Protopopova, VS; Wester, N; Caro, MA; Gabdullin, PG; Palomaki, T; Laurila, T; Koskinen, J, Ultrathin undoped tetrahedral amorphous carbon films: thickness dependence of the electronic structure and implications for their electrochemical behaviour, Physical Chemistry Chemical Physics 17, pp. 9020-9031 (2015). http://dx.doi.org/10.1039/c4cp05855k
  8. Schulz, S., Caro, M.A., Coughlan, C., and OReilly, E.P., Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN-GaN quantum well, Physical Review B 91, pp. 035439 (2015). http://dx.doi.org/10.1103/PhysRevB.91.035439
  9. Swasey, S.M., Espinosa Leal, L., Lopez-Acevedo, O., Pavlovich, J., Gwinn, E.G., Silver(I) as DNA Glue: Ag+ mediated pairs revealed, Scientific Reports 5, 1-9 (2015). http://www.nature.com/srep/2015/150514/srep10163/full/srep10163.html
  10. Espinosa Leal L., Lopez-Acevedo O., On the interaction between gold and silver metal atoms and DNA/RNA nucleo bases - A comprehensive computational study of ground state properties, Nanotechnology Reviews 4, 173-191 (2015). http://arxiv.org/abs/1403.3494

2014 (4)

  1. Zoubkoff, R., Triozon, F., Niquet, Y.-M., Latil, S., Boron and nitrogen codoping effect on transport properties of carbon nanotubes, Physical Review B 90, 125418 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.125418
  2. Lehtomäki, J., Makkonen, I., Caro, M. A., Harju, A., Lopez-Acevedo, O., Orbital-free density functional theory implementation with the projector augmented-wave method, Journal of Chemical Physics 141, 234102 (2014). http://dx.doi.org/10.1063/1.4903450
  3. Caro M., Zoubkoff R., Lopez-Acevedo O.; Laurila T., Atomic and electronic structure of amorphous carbon surfaces from density functional theory: properties and simulation strategies, Carbon 77, 1168-1182 (2014). http://www.sciencedirect.com/science/article/pii/S000862231400606X
  4. Leukkunen, L., Verho, T., Lopez-Acevedo, O., A multi-scale code for flexible hybrid simulations using ASE framework, Computing in Science & Engineering 16, 54 (2014). http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6547139&tag=1

2013 (1)

  1. Ojanperä, A., Puska, M. J., and Lopez-Acevedo, O., First-Principles Study of Excited State Evolution in a Protected Gold Complex, Journal of Physical Chemistry C 117, 11837?11842 (2013). http://pubs.acs.org/doi/full/10.1021/jp4024684

Electronic Properties of Materials publications since 2013

2017 (1)

  1. Ketolainen, T., Havu, V., and Puska, M.J., Conductivity of AuCl4-Functionalized Carbon Nanotube Networks, The Journal of Physical Chemistry C 121, 4627-4634 (2017). http://dx.doi.org/10.1021/acs.jpcc.6b11644

2016 (7)

  1. Krustok, J., Raadik, T., Jaaniso, R., Kiisk, V., Sildos, I., Marandi, M., Komsa, H.-P., Li, B., Zhang, X., Gong, Y., and Ajayan, P.M., Optical study of local strain related disordering in CVD-grown MoSe2 monolayers, Applied Physics Letters 109, 253106 (2016). http://aip.scitation.org/doi/abs/10.1063/1.4972782
  2. Qin, Q.H., Äkäslompolo, L., Tuomisto, N., Yao, L., Majumdar, S., Vijayakumar, J., Casiraghi, A, Inkinen, S., Chen, B., Zugarramurdi, A., Puska, M., and van Dijken, S., Resistive switching in all-oxide ferroelectric tunnel junctions with ionic interfaces, Advanced Materials 28, 6852-6859 (2016). http://dx.doi.org/10.1002/adma.201504519
  3. Sutter, E., Huang, Y., Komsa, H.-P., Ghorbani-Asl, M., Krasheninnikov, A.V., and Sutter, P., Electron-Beam Induced Transformations of Layered Tin Dichalcogenides, Nano Letters 16, 4410 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b01541
  4. Vierimaa, V., Krasheninnikov, A. V., and Komsa, H.-P., Phosphorene under electron beam: from monolayer to one-dimensional chains, Nanoscale 8, 7949-7957 (2016). http://pubs.rsc.org/en/Content/ArticleLanding/2016/NR/C6NR00179C
  5. Koberidze, M., Feshchenko, A.V., Puska, M.J., Nieminen, R.M. and Pekola, J.P., Effect of interface geometry on electron tunnelling in Al/Al2O3/Al junctions, Journal of Physics D: Applied Physics 49, 165303 (2016). http://iopscience.iop.org/article/10.1088/0022-3727/49/16/165303
  6. Zubiaga, A., Ervasti, M.M., Makkonen, I., Harju, A., Tuomisto, F., and Puska, M. J., Modeling positronium beyond the single particle approximation, Journal of Physics B: Atomic, Molecular and Optical Physics 49, 064005 (2016). http://dx.doi.org/10.1088/0953-4075/49/6/064005
  7. Baarman, K., Havu, V., and Eirola, T., Direct Minimization for Ensemble Electronic Structure Calculations, Journal of Scientific Computing 66, 1218-1233 (2016). http://link.springer.com/article/10.1007/s10915-015-0058-8

2015 (21)

  1. Zugarramurdi, A; Debiossac, M; Lunca-Popa, P; Mayne, AJ; Momeni, A; Borisov, AG; Mu, Z; Roncin, P; Khemliche, H, Determination of the geometric corrugation of graphene on SiC(0001) by grazing incidence fast atom diffraction, Applied Physics Letters 106, pp. 101902 (2015). http://dx.doi.org/10.1063/1.4914178
  2. Syzgantseva, O.A., Puska, M., Laasonen, K., Charge Transfer at the Hybrid Interfaces in the Presence of Water: A Theoretical Study, Journal of Physical Chemistry C 119, 28347-28352 (2015). http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b10182
  3. Lin, Y.-C., Komsa, H.-P., Yeh, C.-H., Björkman, T., Liang, Z.-Y., Ho, C.-H., Huang, Y.-S., Chiu, P.-W., Krasheninnikov, A.V., and Suenaga, K., Single-Layer ReS2: Two-Dimensional Semiconductor with Tunable In-Plane Anisotropy, ACS Nano 9, 11249-11257 (2015). http://pubs.acs.org/doi/abs/10.1021/acsnano.5b04851
  4. Kylänpää, I., and Komsa, H.-P., Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment, Physical Review B 92, 205418 (2015). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.205418
  5. Hu, Xiaohui, Björkman, Torbjörn, Lipsanen, Harri, Sun, Litao and Krasheninnikov, Arkady V., Solubility of Boron, Carbon, and Nitrogen in Transition Metals: Getting Insight into Trends from First-Principles Calculations, Journal of Physicsl Chemistry Letters 6, 3263-3268 (2015). http://dx.doi.org/10.1021/acs.jpclett.5b01377
  6. Ervasti, MM; Fan, ZY; Uppstu, A; Krasheninnikov, AV; Harju, A, Silicon and silicon-nitrogen impurities in graphene: Structure, energetics, and effects on electronic transport, Physical Review B 92, pp. 235411 (2015). http://dx.doi.org/10.1103/PhysRevB.92.235412
  7. Herbig, C; Ahlgren, EH; Schroder, UA; Martinez-Galera, AJ; Arman, MA; Kotakoski, J; Knudsen, J; Krasheninnikov, AV; Michely, T, Xe irradiation of graphene on Ir(111): From trapping to blistering, Physical Review B 92, pp. 085429 (2015). http://dx.doi.org/10.1103/PhysRevB.92.085429
  8. Syzgantseva, O.A., Puska, M., and Laasonen, K., Impact of Ga-V Codoping on Interfacial Electron Transfer in Dye-Sensitized TiO2, Journal of Physical Chemistry Letters 6, 2603-2607 (2015). http://dx.doi.org/10.1021/acs.jpclett.5b01045
  9. Antila, H.S., and Salonen, E, On combining Thole´s induced point dipole model with fixed charge distributions in molecular mechanics force fields, Journal of Computational Chemistry 36, pp. 739-750 (2015). http://dx.doi.org/10.1002/jcc.23850
  10. Kvashnin, D., Sorokin, P.B., Shtansky, D., Golberg, D., Krasheninnikov, A.V., Line and rotational defects in boron-nitrene: Structure, energetics, and dependence on mechanical strain from first-principles calculations, physica status solidi (b) 254, pp. 1725-1730 (2015). http://dx.doi.org/10.1002/pssb.201451699
  11. Komsa, H-P., and Krasheninnikov, A.V., Native defects in bulk and monolayer MoS2 from first principles, Physical Review B 91, 125304 (2015). http://dx.doi.org/10.1103/PhysRevB.91.125304
  12. Lehtinen, O., Komsa, H.-P., Pulkin, A., Whitwick, M.B., Chen, M.-W., Lehnert, T., Mohn, M., Yazyev, O.V., Kis, A., Kaiser, U., and Krasheninnikov , A.V., Atomic Scale Microstructure and Properties of Se-Deficient Two-Dimensional MoSe2, ACS Nano 9, 3274-3283 (2015). http://pubs.acs.org/doi/abs/10.1021/acsnano.5b00410
  13. Rossi, T.P., Lehtola, S., Sakko, A., Puska, M.J., and Nieminen, R.M., Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets, The Journal of Chemical Physics 142, 094114 (2015). http://dx.doi.org/10.1063/1.4913739
  14. Lin, Y.-C., Björkman, T., Komsa, H.-P., Teng, P.-Y., Yeh, C.-H., Huang, F.-S., Lin, K.-H., Jadczak, J., Huang, Y.-S., Chiu, P.-W., Krasheninnikov, A. V., and Suenaga, K., Three-fold rotational defects in two-dimensional transition metal dichalcogenides, Nature Communications 6, 6736 (2015). http://www.nature.com/ncomms/2015/150402/ncomms7736/full/ncomms7736.html
  15. Zadin, V., Krasheninnikov, A.V., Djurabekova, F., Nordlund, K., Simulations of electromechanical shape transformations of Au nanoparticles, Physica status solidi b 252, pp. 144-148 (2015). http://dx.doi.org/10.1002/pssb.201400140
  16. Ketolainen, T., Havu, V., and Puska, M.J., Enhancing conductivity of metallic carbon nanotube networks by transition metal adsorption, The Journal of Chemical Physics 142, 054705 (2015). http://dx.doi.org/10.1063/1.4907205
  17. Zubiaga, A., Tuomisto, F., and Puska, M.J., Pick-off Annihilation of Positronium in Matter Using Full Correlation Single Particle Potentials: Solid He, Journal of Physical Chemistry B 119, pp. 1747-1755 (2015). http://dx.doi.org/10.1021/jp5106295
  18. Esteban, R; Zugarramurdi, A; Zhang, P; Nordlander, P; Garcia-Vidal, FJ; Borisov, AG; Aizpurua, J, A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations, Faraday Discussions 178, pp. 151-183 (2015). http://dx.doi.org/10.1039/C4FD00196F%20
  19. Kuisma, M., Sakko, A., Rossi, T.P., Larsen, A.H., Enkovaara, J., Lehtovaara, L., and Rantala, T.T., Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations, Physical Review B 91, 115431 (2015). http://dx.doi.org/10.1103/PhysRevB.91.115431
  20. Romero, N.A., Glinsvad, C., Larsen, A.H., Enkovaara, J., Shende, S., Morozov, V.A., and Mortensen, J.J., Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture., Concurrency and Computation: Practice and Experience 27, 69 (2015). http://dx.doi.org/10.1002/cpe.3199
  21. Rossi, T. P., Zugarramurdi, A., Puska, M. J., and Nieminen, R. M., Quantized Evolution of the Plasmonic Response in a Stretched Nanorod, Physical Review Letters 115, 236804 (2015). http://dx.doi.org/10.1103/PhysRevLett.115.236804

2014 (21)

  1. Herbig, C., Åhlgren, E.H., Jolie, W., Busse, C., Kotakoski, J., Krasheninnikov, A.V., , and Michely, T., nterfacial carbon nanoplatelet formation by ion irradiation of graphene on iridium(111), ACS Nano 8, 12208?12218 (2014). http://pubs.acs.org/doi/abs/10.1021/nn503874n
  2. Syzgantseva, O.A., Puska, M., Laasonen, K., Physical Factors Affecting Charge Transfer at the Pe-COOH?TiO2 Anatase Interface, Journal of Physical Chemistry C 118, 25310?25319 (2014). http://pubs.acs.org/action/doSearch?text1=Puska&field1=Contrib&type=within&publication=40026051
  3. Krasheninnikov, A. V., Berseneva, N. Kvashnin, D. G., Enkovaara, J., Björkman, T. Sorokin, P. B., Shtansky, D. V., Nieminen, R. M., Golberg, D., Towards Stronger Al-BN Nanotube Composite Materials: Getting Insight into Bonding at the Al/BN Interface from First-principles Calculations, Journal of Physical Chemistry C 118, 26894-26901 (2014). http://pubs.acs.org/doi/abs/10.1021/jp509505j
  4. Aref, T,, Averin, A., van Dijken, S., Ferring, A., Koberidze, M., Maisi, V.F., Nguyend, H.Q., Nieminen, R.M., Pekola, J.P., and Yao, L.D., Characterization of aluminum oxide tunnel barriers by combining transport measurements and transmission electroc microscopy imaging, Journal of Applied Physics 116, 073702 (2014). http://dx.doi.org/10.1063/1.4893473
  5. Ben Romdhane, F., Björkman, T., Krasheninnikov, A. V., Banhart, F., The Solid-state Growth of One- and Two-dimensional Silica Structures on Metal Surfaces, Journal of Physical Chemistry C 118, 21001-21005 (2014). http://dx.doi.org/10.1021/jp506114k
  6. Cretu, O., Komsa, H.-P., Lehtinen, O., Algara-Siller, G., Kaiser, U., Suenaga, K., and Krasheninnikov, A. V., Experimental Observation of Boron-Nitride Chains, ACS Nano 8, 11950-11957 (2014). http://pubs.acs.org/doi/abs/10.1021/nn5046147
  7. Björkman, Torbjörn, Testing several recent van der Waals density functionals for layered structures, Journal of Chemical Physics 141, 074708 (2014). http://scitation.aip.org/content/aip/journal/jcp/141/7/10.1063/1.4893329
  8. Cuddy, M. J., Arkill, K. P., Wang, Z. W., Komsa, H.-P., Krasheninnikov, A. V., and Palmer, R. E., Fabrication and atomic structure of size-selected, layered MoS2 clusters for catalysis, Nanoscale 6, 12463-12469 (2014). http://dx.doi.org/10.1039/C4NR04317K
  9. Senga, R., Komsa, H.-P., Liu, Z., Hirose-Takai, K., Krasheninnikov, A. V., and Suenaga, K., Atomic structure and dynamic behaviour of truly one-dimensional ionic chains inside ​carbon nanotubes, Nature Materials 13, 1050-1054 (2014). http://dx.doi.org/10.1038/nmat4069
  10. Zeleny, M., Sozinov, A., Straka, L., Björkman, T. and Nieminen, R. M., First-principles study of Co- and Cu-doped Ni 2MnGa along the tetragonal deformation path, Physical Review B 89, 184103 (2014). http://dx.doi.org/10.1103/PhysRevB.89.184103
  11. Algara-Siller, G., Severin, N., Chong, S.Y., Björkman, T., Palgrave, R.G., Laybourn, A., Antonietti, M., Khimyak, Y.Z., Krasheninnikov, A.V., Rabe, J.P., Kaiser, U, Cooper, A.I., Thomas, A., and Bojdys, M.J., Triazine-Based, Graphitic Carbon Nitride: a Two-Dimensional Semiconductor, Angewandte Chemie 53, 7580-7585 (2014). http://onlinelibrary.wiley.com/doi/10.1002/anie.201402191/abstract
  12. Anoshkin, I.V., Talyzin, A.V., Nasibulin, A.G., Krasheninnikov, A.V., Jiang, H., Nieminen, R.M., and Kauppinen, E.I., Coronene Encapsulation in Single‐Walled Carbon Nanotubes: Stacked Columns, Peapods, and Nanoribbons, ChemPhysChem 15, 1660-1665 (2014). http://dx.doi.org/10.1002/cphc.201301200
  13. Lin, Y.-C., Dumcenco, D.O., Komsa, H.-P., Niimi, Y., Krasheninnikov, A. V., Huang, Y.-S., and Suenaga, K., Properties of Individual Dopant Atoms in Single-Layer MoS2: Atomic Structure, Migration, and Enhanced Reactivity, Advanced Materials 26, 2857-2861 (2014). http://onlinelibrary.wiley.com/doi/10.1002/adma.201304985/abstract
  14. Komsa, H.-P., Berseneva, N., Krasheninnikov, A. V., and Nieminen, R. M., Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials, Physical Review X 4, 031044 (2014). http://link.aps.org/doi/10.1103/PhysRevX.4.031044
  15. Zubiaga, A., Tuomisto, F., Puska, M., Full-correlation single-particle positron potentials for a positron and positronium interacting with atoms, Physical Review A 89, 052707 (2014). http://arxiv.org/abs/1305.6809
  16. Inkinen, J., Niskanen, J., Sakko, A., Ruotsalainen, K.O., Pylkkänen, T., Galambosi, S., Hakala, M., Monaco, G., Hämäläinen, K., Huotari, S., Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule, The Journal of Physical Chemistry A 118, 3288-3294 (2014). http://pubs.acs.org/doi/abs/10.1021/jp5019058
  17. Sakko, A., Rossi, T.P., Nieminen, R.M., Dynamical coupling of plasmons and molecular excitations by hybrid quantum/classical calculations: time-domain approach, Journal of Physics: Condensed Matter 26, 315013 (2014). http://iopscience.iop.org/0953-8984/26/31/315013/article
  18. Ojanperä, A., Krasheninnikov, A.V., Puska, M.J., Electronic stopping power from first-principles calculations with account for core electron excitations and projectile ionization, Physical Review B 89, 035120 (2014). http://dx.doi.org/10.1103/PhysRevB.89.035120
  19. Marek, A., Blum, V., Johanni, R., Havu, V., Lang, B., Auckenthaler, T., Heinecke, A. Bungartz, H.-J., Lederer, H., The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science, Journal of Physics: Condensed Matter 26, 213201 (2014). http://dx.doi.org/10.1088/0953-8984/26/21/213201
  20. Susi, T., Kaukonen, M., Havu, P., Ljungberg, M.P., Ayala, P., and Kauppinen, E.I., Core level binding energies of functionalized and defective graphene, Beilstein Journal of Nanotechnology 5, 121-132 (2014). http://dx.doi.org/10.3762/bjnano.5.12
  21. Sakko, A., Rossi, T.P., Enkovaara, J., Nieminen, R.M., Atomistic approach for simulating plasmons in nanostructures, Applied Physics A 115, 427-431 (2014). http://link.springer.com/article/10.1007%2Fs00339-013-8034-3

2013 (29)

  1. Oikkonen, L.E., Ganchenkova, M.G., Seitsonen, A.P., Nieminen, R.M., Mass transport in CuInSe2 from first principles, Journal of Applied Physics 113, 133510 (2013). http://dx.doi.org/10.1063/1.4799064
  2. Bamidele, J., Brndiar, J., Gulans, A., Kantorovich, L., and ?tich, I., Critical Importance of van der Waals Stabilization in Strongly Chemically Bonded Surfaces: Cu(110):O, Journal of Chemimical Theory and Computation 9, 5578 (2013). http://pubs.acs.org/doi/abs/10.1021/ct400813d
  3. Hu, F.M., Wehling, T.O., Gubernatis, J.E., Frauenheim, T., and Nieminen, R.M., Magnetic impurity affected by spin-orbit coupling: Behavior near a topological phase transition, PHYSICAL REVIEW B 88, 045106 (2013). http://link.aps.org/doi/10.1103/PhysRevB.88.045106
  4. Björkman, T., Kurasch, S., Lehtinen, O., Kotakoski, J., Yazyev, O. V., Srivastava, A., Skakalova, V., Smet, J. H., Kaiser, U. and Krasheninnikov, A. V., Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems, Scientific Reports 3, 3482 (2013). http://www.nature.com/srep/2013/131211/srep03482/full/srep03482.html
  5. Ojanperä, A., Puska, M. J., and Lopez-Acevedo, O., First-Principles Study of Excited State Evolution in a Protected Gold Complex, Journal of Physical Chemistry C 117, 11837?11842 (2013). http://pubs.acs.org/doi/full/10.1021/jp4024684
  6. Malola, S., Lehtovaara, L., Enkovaara, J., and Häkkinen H., Birth of the Localized Surface Plasmon Resonance in Monolayer-Protected Gold Nanoclusters, ACS Nano 7, 10263-10270 (2013). http://pubs.acs.org/doi/abs/10.1021/nn4046634
  7. Komsa, H-P., Kurasch, S., Lehtinen, O., Kaiser, U., and Krasheninnikov, A.V., From point to extended defects in two-dimensional MoS2: Evolution of the atomic structre under electron irradiation, Physical Review B 88, 035301 (2013). http://link.aps.org/doi/10.1103/PhysRevB.88.035301
  8. Lehtinen, O., Kurasch, S., Krasheninnikov, A.V, and Kaiser, U., Atomic scale study of the life cycle of a dislocation in graphene from birth to annihilation, Nature Communications 4, 2098 (2013). http://dx.doi.org/10.1038/ncomms3098
  9. Blanc, N., Jean, F., Krasheninnikov, A.V., Renaud, G., Coraux, J., Strains Induced by Point Defects in Graphene on a Metal, Physical Review Letters 111, 085501 (2013). http://prl.aps.org/abstract/PRL/v111/i8/e085501
  10. Komsa, H-P. and Krasheninnikov, A.V., Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles, Physical Review B 88, 085318 (2013). http://link.aps.org/doi/10.1103/PhysRevB.88.085318
  11. Virkkala, V., Havu, V., Tuomisto, F., and Puska, M.J., Modeling Bi induced changes in electronic structures of GaAs1-xBix alloys, Physical Review B 88, 235201 (2013). http://prb.aps.org/abstract/PRB/v88/i23/e235201
  12. Monachesi, P., Björkman, T., Gashe, T., and Eriksson, O., Electronic structure and magnetic properties of Mn, Co, and Ni-substitution of Fe in Fe4N, Physical Review B 88, 054420 (2013). http://prb.aps.org/abstract/PRB/v88/i5/e054420
  13. Standop, S., Lehtinen, O.J., Herbig, C., Lewes-Malandrakis, G., Craes, F., Kotakoski, J., Michely, T., Krasheninnikov, A.V., and Busse, C., Ion Impacts on Graphene/Ir(111): Interface Channeling, Vacancy Funnels, and a Nanomesh, Nano Letters 13, 1948?1955 (2013). http://pubs.acs.org/doi/abs/10.1021/nl304659n
  14. Nair, R.R., Tsai, I.-L., Sepioni, M., Lehtinen, O., Keinonen, J., Krasheninnikov, A.V., Castro Neto A.H., Katsnelson, M.I., Geim, A.K., and Grigorieva I.V, Dual origin of defect magnetism in graphene and its reversible switching by molecular doping, Nature Communications 4, 2010 (2013). http://www.nature.com/ncomms/2013/130612/ncomms3010/full/ncomms3010.html
  15. Ferdaous Ben Romdhane, Torbjörn Björkman, Julio A. Rodríguez-Manzo, Ovidiu Cretu, Arkady V. Krasheninnikov, and Florian Banhart, In Situ Growth of Cellular Two-Dimensional Silicon Oxide on Metal Substrates, ACS Nano 7, 5175-5180 (2013). http://pubs.acs.org/doi/abs/10.1021/nn400905k
  16. Oikkonen, L.E., Ganchenkova, M.G., Seitsonen, A.P., Nieminen, R.M., Effect of sodium incorporation into CuInSe2 from first principles, Journal of Applied Physics 114, 083503 (2013). http://dx.doi.org/10.1063/1.4819105
  17. Ijäs, M., Havu, P., Harju, A., Interaction of chlorine with Stone-Wales defects in graphene and carbon nanotubes, and thermodynamical prospects of chlorine-induced nanotube unzipping, Physical Review B 87, 205430 (2013). http://prb.aps.org/abstract/PRB/v87/i20/e205430
  18. Virkkala, V., Havu, V., Tuomisto, F., Puska, M.J., Origin of band gap bowing in dilute GaAs1-xNx and GaP1-xNx alloys: a real-space view, Physical Review B 88, 035204 (2013). http://dx.doi.org/10.1103/PhysRevB.88.035204
  19. Inkinen, J., Sakko, A., Ruotsalainen, K., Pylkkänen, T., Niskanen, J., Galambosi, S., Hakala, M., Monaco, G., Huotari, S., and Hämäläinen, K., Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure, Physical Chemistry Chemical Physics 15, 9231-9238 (2013). http://dx.doi.org/10.1039/C3CP50512J
  20. Kaukonen, M., Krasheninnikov, A.V., Kauppinen, E., Nieminen, R.M., Doped graphene as a material for oxygen reduction reaction in hydrogen fuel cells: a computational study, ACS Catalysis 3, 159-165 (2013). http://pubs.acs.org/doi/abs/10.1021/cs300605t
  21. Berseneva, N., Gulans, A., Krasheninnikov A.V., Nieminen R.M., Electronic structure of boron-nitride sheets doped with carbon from advanced first-principles calculations, Physical Review B 87, 035404 (2013). http://prb.aps.org/abstract/PRB/v87/i3/e035404
  22. Kalbac, M., Lehtinen, O., Krasheninnikov, A.V., and Keinonen, J., Ion-irradiation-induced defects in isotopically-labeled two layered graphene: enhanced in-situ annealing of the damage, Advanced Materials 25, 1004 (2013). http://onlinelibrary.wiley.com/doi/10.1002/adma.201203807/abstract
  23. Sun, J.h., Hu, F. M., Tang, H. K., Guo, Wei, Lin, H. Q., Indirect exchange of magnetic impurities in zigzag graphene ribbon, JOURNAL OF APPLIED PHYSICS 113, 17B515 (2013). http://arxiv.org/abs/1211.1199
  24. Liu, B., Jiang, H., Krasheninnikov, A., Nasibulin, A.G., Ren, W., Liu, C., Kauppinen, E.I., and Cheng, H-M., Chirality-Dependent Reactivity of Individual Single-Walled Carbon Nanotubes, Small 9, 1379-1386 (2013). http://onlinelibrary.wiley.com/doi/10.1002/smll.201202761/full
  25. Sun, J.h., Hu, F. M., Tang, H. K., Lin, H. Q., Magnetic impurity in the vicinity of a vacancy in bilayer graphene, INTERNATIONAL JOURNAL OF MODERN PHYSICS B 27, 1362039 (2013). http://arxiv.org/abs/1210.8228
  26. Harju, A., Siro, T., Federici Canova, F., Hakala, S., Rantalaiho, T., Computational Physics on Graphics Processing Units, Lecture Notes in Computer Science 7782, 3-26 (2013). http://arxiv.org/abs/1210.7930
  27. Zubiaga, A., Tuomisto, F., and Puska, M.J., Study of unbound HePs using Exact Diagonalization technique, Materials Science Forum 733, pp. 38-42 (2013). http://dx.doi.org/10.4028/www.scientific.net/MSF.733.38
  28. Zubiaga, A., Tuomisto, F., and Puska, M.J., Exchange and correlation effects in the strongly interacting He-Ps system, Journal of Physics: Conference Series 443, 012004 (2013). http://iopscience.iop.org/1742-6596/443/1/012004/
  29. Lebègue, S., Björkman, T., Klintenberg, M., Nieminen, R.M., Eriksson, O., Two-Dimensional Materials from Data Filtering and Ab Initio Calculations, Physical Review X 3, 031002 (2013). http://link.aps.org/doi/10.1103/PhysRevX.3.031002

Multiscale Statistical Physics publications since 2013

2017 (2)

  1. Soltani, M., Sarabadani, J., and Zakeri, S.P., Nonmonotonic Casimir interaction: The role of amplifying dielectrics, Physical Review A 95, 023818 (2017). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.95.023818
  2. Alcanzare, M. M. T., Thakore, V., Ollila, S. T. T., Karttunen, M., Ala-Nissila, T., Controlled propulsion and separation of helical particles at the nanoscale, Soft Matter 13, 2148-2154 (2017). http://pubs.rsc.org/-/content/articlehtml/2017/sm/c6sm02437h

2016 (7)

  1. Pekola, J.P., Suomela, S., and Galperin, Y.M., Finite-Size Bath in Qubit Thermodynamics, Journal of Low Temperature Physics 2016, 1-15 (2016).
  2. Kochereshko, V. P., Durnev, M. V., Besombes, L., Mariette, H., Sapega, V. F., Askitopoulos, A., Savenko, I. G., Liew, T. C. H., Shelykh, I. A., Platonov, A. V., Tsintzos, S. I., Hatzopoulos, Z., Savvidis, P. G., Kalevich, V. K., Afanasiev, M. M., Lukoshkin, V. A., Schneider, C., Amthor, M., Metzger, C., Kamp, M., Hoefling, S., Lagoudakis, P., and Kavokin, A., Lasing in Bose-Fermi mixtures, Scientific Reports 6, 20091 (2016). http://www.nature.com/articles/srep20091
  3. Kovalev, V., Savenko, I. G., and Iorsh, I., Ultrafast exciton-polariton scattering towards the Dirac points, Journal of Physics: Condensed Matter 28, 105301 (2016). http://dx.doi.org/10.1088/0953-8984/28/10/105301
  4. Kutvonen, A., Koski, J.V., Ala-Nissila, T., Thermodynamics and efficiency of an autonomous on-chip Maxwell?s demon,, Scientific Reports 6, 21126 (2016). http://dx.doi.org/10.1038/srep21126
  5. Vartia, O.S., Ylä-Oijala, P., Markkanen, J., Puupponen, S., Seppälä, A., Sihvola, A., and Ala-Nissila, T., On the applicability of discrete dipole approximation for plasmonic particles, Journal of Quantitative Spectroscopy & Radiative Transfer 169, pp. 23-35 (2016). http://dx.doi.org/10.1016/j.jqsrt.2015.10.003
  6. Kutvonen, A., Sagawa, T., Ala-Nissila, T., Thermodynamics of information exchange between two coupled quantum dots, Physical Review E 93, 032147 (2016). http://dx.doi.org/10.1103/PhysRevE.93.032147
  7. Alcanzare, M. M. T., Ollila, S. T. T., Thakore, V., Laganapan, A. M., Videcoq, A., Cerbelaud, M., Ferrando, R., Ala-Nissila, T., Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates, The European Physical Journal Special Topics 225, 729?739 (2016).

2015 (25)

  1. Sarabadani, J., Ikonen, T., and Ala-Nissila, T., Theory of polymer translocation through a flickering nanopore under an alternating driving force, The Journal of Chemical Physics 143, 074905 (2015). http://dx.doi.org/10.1063/1.4928743
  2. Sarabadani, J., Ojaghi Dogaheh, B., and Podgornik, R., Repulsive Casimir interaction: Boyer oscillators at nanoscale, Europhysics letters 112, 41001 (2015). http://dx.doi.org/10.1209/0295-5075/112/41001
  3. Jónsson, E., Lehtola, S., and Jónsson, H., Towards an optimal gradient-dependent energy functional of the PZ-SIC form, Procedia Computer Science 51, pp. 1858-1864 (2015). http://dx.doi.org/10.1016/j.procs.2015.05.417
  4. Koski, J.V., Kutvonen, A., Ala-Nissila, T., Pekola J.P., On-chip Maxwell`s demon as an information-powered refrigerator, Physical Review Letters 115, 260602 (2015). http://dx.doi.org/10.1103/PhysRevLett.115.260602
  5. Karpov, D., Savenko I. G., Flayac, H., Rosanov, N. N., Dissipative soliton protocols in semiconductor microcavities at finite temperatures, Physical Review B 92, 075305 (2015). http://dx.doi.org/10.1103/PhysRevB.92.075305
  6. Gudmundsdóttir, H., Jónsson, E. Ö., and H. Jónsson, Calculations of Al dopant in alpha-quartz using a variational implementation of the Perdew-Zunger self-interaction correction, New Journal of Physics 17, 123-127 (2015). http://dx.doi.org/10.1088/1367-2630/17/8/083006
  7. Pedersen, A., Karssemeijer, L.J., Cuppen, H.M., and Jónsson, H., Long-timescale simulations of H2O admolecule diffusion on Ice Ih(0001) surfaces, Journal of Physical Chemistry 119, pp. 16528-16536 (2015). http://dx.doi.org/10.1021/acs.jpcc.5b01629
  8. Bessarab, P.F., Uzdin, V.M., and Jónsson, H., Method for finding mechanism and activation energy of magnetic transitions, applied to skyrmion and antivortex annihilation, Computer Physics Communications 196, pp. 335-347 (2015). http://dx.doi.org/10.1016/j.cpc.2015.07.001
  9. Salles, N., Tétot, R., Ala-Nissila, T., Jónsson, H., Improved tight-binding charge transfer model and calculations of energetics of a step on the rutile TiO2(110) surface, The journal of physical chemistry C 119, 10391-10399 (2015). http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b01580
  10. Berthier, F., Maras, E. and Legrand, B., Phase diagrams of nanoalloys: influence of size and morphology, Physical Chemistry Chemical Physics 1, 1 (2015). http://dx.doi.org/10.1039/C5CP01593F
  11. Schmidt, R., Carusela, M.F., Pekola, J.P., Suomela, S., and Ankerhold, J., Work and heat for two-level systems in dissipative environments: Strong driving and non-Markovian dynamics, Physical Review B 91, 224303 (2015). http://link.aps.org/doi/10.1103/PhysRevB.91.224303
  12. Viisanen, K.L., Suomela, S., Gasparinetti, S., Saira, O-P., Ankerhold, J., and Pekola, J.P., Incomplete measurement of work in a dissipative two level system, New Journal of Physics 17, 055014 (2015). http://iopscience.iop.org/1367-2630/17/5/055014/
  13. Maras, E., Salles, N., Tétot, R., Ala-Nissila, T. and Jonsson, H, Improved tight-binding charge transfer model and calculations of energetics of a step on rutile TiO2(110) surface, Journal of Physical Chemistry 119, 10391-10399 (2015). http://dx.doi.org/10.1021/acs.jpcc.5b01580
  14. Flayac, H., Savenko, I., Möttönen, M., Ala-Nissila, T., Quantum treatment of the Bose-Einstein condensation in non-equilibrium systems, Physical Review B 92, 115117 (2015). http://dx.doi.org/10.1103/PhysRevB.92.115117
  15. Mökkönen, H., Ikonen, T., Ala-Nissilä, T., and Jónsson, H., Transition State Theory Approach to Polymer Escape from a One Dimensional Potential Well, Journal of Chemical Physics 142, 123-127 (2015). http://dx.doi.org/10.1063/1.4921959
  16. Buyukdagli, S., Blossey, R., and Ala-Nissila, T., Ionic current inversion in pressure-driven polymer translocation through nanopores, Physical Review Letters 114, 088303 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.088303
  17. Melander, M., Laasonen, K., Jonsson, H., Removing external degrees of freedom from transition state search methods using quaternions, Journal of Chemical Theory and Computation 11, 1055-1062 (2015). http://pubs.acs.org/doi/abs/10.1021/ct501155k
  18. Seppala, A; Vartia, O; Seppala, P; Saari, K; Noponen, T; Ala-Nissila, T, Virtual enclosure model for thermal radiation extinction inside porous materials with closed cell structure, International Journal of Heat and Mass Transfer 87, pp. 79-91 (2015). http://dx.doi.org/10.1016/j.ijheatmasstransfer.2015.03.074
  19. Puupponen, S., Seppälä, A., Vartia, O., Saari, K., and Ala-Nissila, T., Preparation of Paraffin and Fatty Acid Nanofluids for Heat Transfer Applications, Thermochimica Acta 601, 33 (2015). http://dx.doi.org/10.1016/j.tca.2014.12.020
  20. Laganapan, AMK; Videcoq, A; Bienia, M; Ala-Nissila, T; Bochicchio, D; Ferrando, R, Computation of shear viscosity of colloidal suspensions by SRD-MD, Journal of Chemical Physics 142, pp. 144101 (2015). http://dx.doi.org/10.1063/1.4917039
  21. Melander, M; Laasonen, K; Jonsson, H, Removing External Degrees of Freedom from Transition-State Search Methods using Quaternions, Journal of Chemical Theory and Computation 11, pp. 1055-1062 (2015). http://dx.doi.org/10.1021/ct501155k
  22. Saarinen, S., Puupponen, S., Meriläinen, A., Joneidi, A., Seppälä, A., Saari, K., and Ala-Nissila, T., Turbulent heat transfer characteristics and thermal properties of n-decane-in-water nanoemulsion fluids and micelles-in-water fluids, International Jornal of Heat and Mass Transfer 81, 246 (2015). http://dx.doi.org/10.1016/j.ijheatmasstransfer.2014.10.029
  23. Suomela, S., Salmilehto, J., Savenko, I., Ala-Nissila, T., and Möttönen, M., Fluctuations of work in nearly adiabatically driven open quantum systems, Physical Review E 91, 022126 (2015). http://link.aps.org/doi/10.1103/PhysRevE.91.022126
  24. Li, H., Li, L, Pedersen, A., Gao, Y., Khetrapal, N., Jonsson, H., Zeng, X.C., Magic-number gold nanoclusters with diameter 1 to 3.5 nm: Relative stability and catalytic activity for CO oxidation, Nano Letters 15, 682-688 (2015). http://pubs.acs.org/doi/abs/10.1021/nl504192u
  25. Kutvonen, A., Ala-Nissila T., Pekola J.P., Entropy production in a non-Markovian environment, Physical Review E 92, 012107 (2015). http://dx.doi.org/10.1103/PhysRevE.92.012107

2014 (14)

  1. Buyukdagli, S., and Ala-Nissila, T., Controlling polymer translocation and ion transport via charge correlations, Langmuir 30, 12907 (2014). http://dx.doi.org/10.1021/la503327j
  2. Palyulin, V.V., Ala-Nissila, T., and Metzler, R., Polymer translocation: the first two decades and the recent diversification, Soft Matter 10, 9016 (2014). http://dx.doi.org/10.1039/C4SM01819B
  3. Laaksonen, K., Li, S.-Y., Puisto, S.R., Rostedt, N.K.J., Ala-Nissila, T., Granqvist, C.G., Nieminen, R., and Niklasson, G.A., Nanoparticles of TiO2 and VO2 in dielectric media: Conditions for low optical scattering, and comparison between effective medium and four-flux theories, Solar Energy Materials and Solar Cells 130, 132 (2014). http://dx.doi.org/10.1016/j.solmat.2014.06.036
  4. Sarabadani, J., Ikonen, T., and Ala-Nissila, T., Iso-Flux Tension Propagation Theory of Driven Polymer Translocation: The Role of Initial Configurations, The Journal of Chemical Physics 141, 214907-1-9 (2014). http://dx.doi.org/10.1063/1.4903176
  5. Suomela, S., Solinas, P., Pekola, J.P., Ankerhold, J., and Ala-Nissila, T., Moments of work in the two-point measurement protocol for a driven open quantum system, Physical Review B 90, 094304 (8 pages) (2014). http://dx.doi.org/10.1103/PhysRevB.90.094304
  6. Manneschi, C., Fanzio, P., Ala-Nissila, T., Angeli, E., Repetto, L., Firpo, G., and Valbusa, U., Stretching of DNA confined in nanochannels with charged walls, Biomicrofluidics 8, 064121 (2014). http://dx.doi.org/10.1063/1.4904008
  7. Fischer, J., Savenko, I.G., Fraser, M. D., Holzinger, S., Brodbeck, S., Kamp, M., Shelykh, I. A., Schneider, C., and Höfling, S., Spatial Coherence Properties of One Dimensional Exciton-Polariton Condensates, Physical Review Letters 113, 203902 (2014). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.203902
  8. Heinonen, V., Achim, C.V., Elder, K.R., Buyuddagli,S., and Ala-Nissila, T., Phase-field-crystal models and mechanical equilibrium, Physical Review E 89, 032411 (2014). http://dx.doi.org/10.1103/PhysRevE.89.032411
  9. Ollila, S.T.T., Denniston, C., Karttunen, M., and Ala-Nissila, T., Biopolymer Filtration in Corrugated Nanochannels, Physical Review Letters 112, 118301 (2014). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.118301
  10. Buyukdagli, S., and Ala-Nissila, T., Electrostatic correlations on the ionic selectivity of cylindrical membrane nanopores, Journal of Chemical Physics 140, 067401 (2014). http://dx.doi.org/10.1063/1.4864323
  11. Laaksonen, K., Suomela, S., Puisto, S.R., Rostedt, N.K.J., Ala-Nissila, T., and Nieminen, R.M., Influence of high-refractive-index oxide cores on optical properties of thin metal nanoshells, Journal of the Optical Society of America B 31, 494 (2014). http://dx.doi.org/10.1364/JOSAB.31.000494
  12. Harri Mökkönen, Timo Ikonen, Hannes Jónsson, Tapio Ala-Nissila, Polymer escape from a confining potential, Journal of Chemical Physics 140, 054907 (2014). http://scitation.aip.org/content/aip/journal/jcp/140/5/10.1063/1.4863920
  13. Lehtola, S. and Jónsson, H., Pipek−Mezey Orbital Localization Using Various Partial Charge Estimates, Journal of Chemical Theory and Computation 10, 642-649 (2014). http://pubs.acs.org/doi/abs/10.1021/ct401016x
  14. Sarabadani, J., Milchev, A., and Vilgis, T. A., Structure and dynamics of polymer melt confined between two solid surfaces: A molecular dynamics study, The Journal of Chemical Physics 141, 044907-1_044907-13 (2014). http://scitation.aip.org/content/aip/journal/jcp/141/4/10.1063/1.4890820

2013 (21)

  1. Laaksonen, K., Li, S.-Y., Puisto, S.R., Niklasson, G.A., Ala-Nissila, T., and Nieminen, R.M., Optical Properties of Thermochromic VO2 Nanoparticles, Nano-Optics for Enhancing Light-Matter Interactions on a Molecular Scale, NATO Science for Peace and Security Series B: Physics and Biophysics 1, 419 (2013).
  2. Tomilov, A., Videcoq, A., Cerbelaud, M., Piechowiak, M.A., Chartier, T., Ala-Nissila, T., Bochicchio, D., and Ferrando, R., Aggregation in Colloidal Suspensions: Evaluation of the Role of Hydrodynamic Interactions by Means of Numerical Simulations, The Journal of Physical Chemistry B 117, 14509 (2013). http://pubs.acs.org/doi/suppl/10.1021/jp407247y
  3. Lehtola, S.; Jónsson, H., Unitary optimization of localized molecular orbitals, Journal of Chemical Theory and Computation 9, 5365-5372 (2013). http://pubs.acs.org/doi/abs/10.1021/ct400793q
  4. Granato, E., Ying, S.C., Elder, K.R., and Ala-Nissila, T., Anomalous fast dynamics of adsorbate overlayers near an incommensurate structural transition, Physical Review Letters 111, 126102 (2013). http://prl.aps.org/abstract/PRL/v111/i12/e126102
  5. N. Samadashvili, B. Reischl, T. Hynninen, T. Ala-Nissila and A. S. Foster, Atomistic simulations of friction at an ice-ice interface, Friction 1, 242 (2013). http://dx.doi.org/10.1007/s40544-013-0021-3
  6. Denniston, C., MacKay, F.E., and Ollila, S. T. T., Coupling Molecular Dynamics to a "Continuum" Mesh Background, Publication Series of the John von Neumann Institute for Computing (NIC), NIC Series 46, 232 (2013). http://juser.fz-juelich.de/record/132949
  7. Elder, K.R., Rossi, G., Kanerva, P., Sanches, F., Ying, S-C., Granato, E., Achim, C.V., and Ala-Nissila, T., Modeling Self-Organization of Thin Strained Metallic Overlayers from Atomic to Micron Scales, Physical Review B 88, 075423 (2013). http://dx.doi.org/10.1103/PhysRevB.88.075423
  8. Ikonen, T., Bhattacharya, A., Ala-Nissila, T., and Sung, W., Influence of Pore Friction on the Universal Aspects of Polymer Translocation, Europhysics Letters 103, 38001 (2013). http://iopscience.iop.org/0295-5075/103/3/38001
  9. Manneschi, C., Angeli, E., Ala-Nissila, T., Repetto, L., Firpo, G., and Valbusa, U., Conformations of DNA in triangular nanochannels, Macromolecules 46, 4196 (2013). http://pubs.acs.org/doi/abs/10.1021/ma4000545
  10. Meriläinen, A., Seppälä, A., Saari, K., Seitsonen, J., Ruokolainen, J., Puisto, S., Rostedt, N., and Ala-Nissila, T., Influence of particle size and shape on turbulent heat transfer characteristics and pressure losses in water-based nanofluids, International Journal of Heat and Mass Transfer 61, 439 (2013). http://dx.doi.org/10.1016/j.ijheatmasstransfer.2013.02.032
  11. Buyukdagli, S., Ala-Nissila, T., Microscopic formulation of nonlocal electrostatics in polar liquids embedding polarizable ions, Physical Review E 87, 063201 (2013). http://link.aps.org/doi/10.1103/PhysRevE.87.063201
  12. Ollila, S. T. T., Denniston, C., and Ala-Nissila, T., One- and two-particle dynamics in microfluidic T-junctions, Physical Review E Rapid Communications 87, 050302 (2013). http://link.aps.org/doi/10.1103/PhysRevE.87.050302
  13. Sahin Buyukdagli and Tapio Ala-Nissila, Alteration of gas phase ion polarizabilities upon hydration in high dielectric liquids, The Journal of Chemical Physics 139, 044907 (2013). http://scitation.aip.org/content/aip/journal/jcp/139/4/10.1063/1.4816011
  14. Koski, J. V., Sagawa, T., Saira, O.-P., Yoon, Y., Kutvonen, A., Solinas, P., Möttönen, M., Ala-Nissila, T., Pekola, J. P., Distribution of Entropy Production in a Single-Electron Box, Nature Physics 9, 644 (2013). http://www.nature.com/nphys/journal/v9/n10/full/nphys2711.html
  15. Laaksonen, K., Suomela, S., Puisto, S.R., Rostedt, N.K.J., Ala-Nissila, T., Nieminen, R.M., Influence of high-refractive-index oxide coating on optical properties of metal nanoparticles, Journal of the Optical Society of America B 30, 338-348 (2013). http://dx.doi.org/10.1364/JOSAB.30.000338
  16. Heinonen, V., Mijailovic, A., Achim, C.V., Ala-Nissila, T., Rozas, R.E., Horbach, J., Löwen, H., Bcc crystal-fluid interface tension in Yukawa systems, Journal of Chemical Physics 138, 044705 (2013). http://dx.doi.org/10.1063/1.4775744
  17. S. Buyukdagli and T. Ala Nissila, Microscopic formulation of non-local electrostatics in polar liquids embedding polarizable ions, Physical Review E 87, 063201 (2013). http://pre.aps.org/abstract/PRE/v87/i6/e063201
  18. Pekola, J.P., Kutvonen A., Ala-Nissilä T., Dissipated work and fluctuation relations for non-equilibrium single-electron transitions, Journal of Statistical Mechanics: Theory and Experiment 2013, P02033 (2013). http://iopscience.iop.org/1742-5468/2013/02/P02033/article
  19. Ollila, S. T. T., Denniston, C., Karttunen, M., and Ala-Nissila, T., Hydrodynamic Effects on Confined Polymers, Soft Matter 9, pp. 3478-3487 (2013). http://dx.doi.org/10.1039/c3sm27410a
  20. Mackay, F. E., Ollila, S. T. T., and Denniston C., Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid, Computer Physics Communications 184, pp. 2021-2031 (2013). http://dx.doi.org/10.1016/j.cpc.2013.03.024
  21. Ollila, S. T. T., Smith, C. J., Ala-Nissila, T., and Denniston, C., The hydrodynamic radius of particles in the hybrid Lattice Boltzmann-Molecular Dynamics method, Multiscale Modeling and Simulation 11, pp. 213-243 (2013). http://dx.doi.org/10.1137/110858756

Quantum Computing and Devices publications since 2013

2017 (6)

  1. Lindström, T., Lake, R., Pashkin, Y. A., and Manninen, A., Controlling Single Microwave Photons: A New Frontier in Microwave Engineering, Microwave Journal 60, 118-131 (2017). http://www.microwavejournal.com/articles/28304-controlling-single-microwave-photons-a-new-frontier-in-microwave-engineering
  2. Tan, K. Y., Partanen, M., Lake, R. E., Govenius, J., Masuda, S., and Möttönen, M., Quantum-circuit refrigerator, Nature Communications 8, 15189 (2017). https://dx.doi.org/10.1038/ncomms15189
  3. Ollikainen, T., Tiurev, K., Blinova, A., Lee, W., Hall, D. S., and Möttönen, M., Experimental realization of a Dirac monopole through the decay of an isolated monopole, Physical Review X 7, 021023 (2017). https://doi.org/10.1103/PhysRevX.7.021023
  4. Ollikainen, T., Masuda, S., Möttönen, M., and Nakahara, M., Counterdiabatic vortex pump in spinor Bose-Einstein condensates, Physical Review A 95, 013615 (2017). https://journals.aps.org/pra/abstract/10.1103/PhysRevA.95.013615
  5. Ikonen, J., Salmilehto, J., and Möttönen, M., Energy-Efficient Quantum Computing, npj Quantum Information 3, 17 (2017). www.nature.com/articles/s41534-017-0015-5
  6. Lake, R. E., Govenius, J., Kokkoniemi, R., Tan, K. Y., Partanen, M., Virtanen, P., and Möttönen, M., Microwave admittance of gold-palladium nanowires with proximity-induced superconductivity, Advanced Electronic Materials 3, 1600227 (2017). http://dx.doi.org/10.1002/aelm.201600227

2016 (8)

  1. Tiurev, K., Kuopanportti, P., Gunyhó, A. M., Ueda, M., Möttönen, M., Evolution of an isolated monopole in a spin-1 Bose-Einstein condensate, Physical Review A 94, 053616 (2016). https://journals.aps.org/pra/abstract/10.1103/PhysRevA.94.053616
  2. Tanttu, T., Rossi, A., Tan, K. Y., Mäkinen, A., Chan, K. W., Dzurak, A. S., Möttönen, M., Three-waveform bidirectional pumping of single electrons with a silicon quantum dot, Scientific Reports 6, 36381 (2016). http://dx.doi.org/10.1038/srep36381
  3. Kochereshko, V. P., Durnev, M. V., Besombes, L., Mariette, H., Sapega, V. F., Askitopoulos, A., Savenko, I. G., Liew, T. C. H., Shelykh, I. A., Platonov, A. V., Tsintzos, S. I., Hatzopoulos, Z., Savvidis, P. G., Kalevich, V. K., Afanasiev, M. M., Lukoshkin, V. A., Schneider, C., Amthor, M., Metzger, C., Kamp, M., Hoefling, S., Lagoudakis, P., and Kavokin, A., Lasing in Bose-Fermi mixtures, Scientific Reports 6, 20091 (2016). http://www.nature.com/articles/srep20091
  4. Kovalev, V., Savenko, I. G., and Iorsh, I., Ultrafast exciton-polariton scattering towards the Dirac points, Journal of Physics: Condensed Matter 28, 105301 (2016). http://dx.doi.org/10.1088/0953-8984/28/10/105301
  5. Govenius, J., Lake, R. E., Tan, K. Y., and Möttönen, M., Detection of zeptojoule microwave pulses using electrothermal feedback in proximity-induced Josephson junctions, Physical Review Letters 117, 030802 (2016). http://dx.doi.org/10.1103/PhysRevLett.117.030802
  6. Partanen, M., Tan, K. Y., Govenius, J., Lake, R. E., Mäkelä, M. K., Tanttu, T., Möttönen, M., Quantum-limited heat conduction over macroscopic distances, Nature Physics 12, pp. 460 - 464 (2016). https://dx.doi.org/10.1038/nphys3642
  7. Hall, D. S., Ray, M. W., Tiurev, K., Ruokokoski, E., Gheorghe, A. H., and Möttönen, M., Tying Quantum Knots, Nature Physics 12, pp. 478 - 483 (2016). https://dx.doi.org/10.1038/nphys3624
  8. Tiurev, K., Ruokokoski, E., Mäkelä, H., Hall, D.S., and Möttönen, M., Decay of an isolated monopole into a Dirac monopole configuration, Physical Review A 93, 033638 (2016). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.93.033638

2015 (11)

  1. Karpov, D., Savenko I. G., Flayac, H., Rosanov, N. N., Dissipative soliton protocols in semiconductor microcavities at finite temperatures, Physical Review B 92, 075305 (2015). http://dx.doi.org/10.1103/PhysRevB.92.075305
  2. Lake, R. E., and Arista, N. R., Kinetic-energy transfer in highly-charged-ion collisions with carbon, Physical Review A 92, 052710 (2015). http://dx.doi.org/10.1103/PhysRevA.92.052710
  3. Govenius, J., Matsuzaki, Y., Savenko, I. G., Möttönen, M., Parity measurement of remote qubits using dispersive coupling and photodetection, Physical Review A 92, 042305 (2015). http://dx.doi.org/10.1103/PhysRevA.92.042305
  4. Tanttu, T., Rossi, A., Tan, Y. T., Huhtinen, K.-E., Chan, K. W., Möttönen, M., Dzurak, A. S., Electron counting in a silicon single-electron pump, New Journal of Physics 17, 103030 (2015). http://stacks.iop.org/1367-2630/17/i=10/a=103030
  5. Flayac, H., Savenko, I., Möttönen, M., Ala-Nissila, T., Quantum treatment of the Bose-Einstein condensation in non-equilibrium systems, Physical Review B 92, 115117 (2015). http://dx.doi.org/10.1103/PhysRevB.92.115117
  6. Masuda, S; Rice, SA, Rotation of the Orientation of the Wave Function Distribution of a Charged Particle and its Utilization, The Journal of Physical Chemistry B 119, pp. 11079-11088 (2015). http://dx.doi.org/10.1021/acs.jpcb.5b02681
  7. Masuda, S; Rice, SA, A model study of assisted adiabatic transfer of population in the presence of collisional dephasing, Journal of Chemical Physics 142, pp. 244303 (2015). http://dx.doi.org/10.1063/1.4922779
  8. Mäkelä, Harri, Bounds for the divisibility-based and distinguishability-based non-Markovianity measures, Physical Review A 91, 012108 (2015). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.91.012108
  9. Suomela, S., Salmilehto, J., Savenko, I., Ala-Nissila, T., and Möttönen, M., Fluctuations of work in nearly adiabatically driven open quantum systems, Physical Review E 91, 022126 (2015). http://link.aps.org/doi/10.1103/PhysRevE.91.022126
  10. Rossi, A, Tanttu, T., Hudson, F. E., Sun, Y., Möttönen, M., Dzurak, A. S., Silicon Metal-Oxide-Semiconductor Quantum Dots for Single-Electron Pumping, Journal of Visualized Experiments 100, e52852 (2015). http://www.jove.com/video/52852
  11. Ray, M. W., Ruokokoski, E., Tiurev, K., Möttönen, M., and Hall, D. S., Observation of Isolated Monopoles in a Quantum Field, Science 348, 544 (2015). http://www.sciencemag.org/content/348/6234/544

2014 (9)

  1. Xiang, G.-Y., Hou, Z.-B., Li, C.-F., Guo, G.-C., Breuer, H.-P., Laine, E.-M., Piilo, J., Entanglement distribution in optical fibers assisted by nonlocal memory effects, Europhysics Letters 107, 54006 (2014). http://iopscience.iop.org/0295-5075/107/5/54006/
  2. Fischer, J., Savenko, I.G., Fraser, M. D., Holzinger, S., Brodbeck, S., Kamp, M., Shelykh, I. A., Schneider, C., and Höfling, S., Spatial Coherence Properties of One Dimensional Exciton-Polariton Condensates, Physical Review Letters 113, 203902 (2014). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.203902
  3. Govenius, J., Lake, R. E., Tan, K. Y., Pietilä, V., Julin, J. K., Maasilta, I. J., Virtanen, P., Möttönen, M., Microwave nanobolometer based on proximity Josephson junctions, Physical Review B 90, 064505 (2014). http://dx.doi.org/10.1103/PhysRevB.90.064505
  4. Rossi, A., Tanttu, T. , Tan, K. Y. , Zhao, R., Chan, K. W., Iisakka, I., Tettamanzi, G. C., Rogge, S., Dzurak, A. S., and Möttönen, M., An accurate single-electron pump based on a highly tunable silicon quantum dot, Nano Letters 14, 3405 (2014). http://pubs.acs.org/doi/abs/10.1021/nl500927q
  5. Salmilehto, J., Solinas, P., and Möttönen, M., Quantum driving and work, Physical Review E 89, 052128 (2014). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.89.052128
  6. Laine, E.-M., Breuer, H.-P., Piilo, J., Nonlocal memory effects allow perfect teleportation with mixed states, Scientific Reports 4, 4620 (2014). http://dx.doi.org/10.1038/srep04620
  7. Ollikainen, T., Ruokokoski, E., and Möttönen, M., Creation and dynamics of two-dimensional skyrmions in antiferromagnetic spin-1 Bose-Einstein condensates, Physical Review A 89, 033629 (2014). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.89.033629
  8. Caballar, R.C.F., Diehl, S., Mäkelä, H., Oberthaler, M., Watanabe, G., Dissipative preparation of phase- and number-squeezed states with ultracold atoms, Physical Review A 89, 013620 (2014). http://pra.aps.org/abstract/PRA/v89/i1/e013620
  9. Ray, M. W., Ruokokoski, E., Kandel, S., Möttönen, M., and Hall, D. S., Observation of Dirac monopoles in a synthetic magnetic field, Nature 505, 657 (2014). http://www.nature.com/nature/journal/v505/n7485/full/nature12954.html

2013 (12)

  1. Baek, S.K., Mäkelä, H., Internal energy density of the critical three-state Potts model on the kagome lattice, Journal of the Korean Physical Society 63, 1167-1170 (2013). http://link.springer.com/article/10.3938/jkps.63.1167
  2. Baek, S.K., Mäkelä, H., Minnhagen, P., Kim, B. J., Residual discrete symmetry of the five-state clock model, Physical Review E 88, 012125 (2013). http://pre.aps.org/abstract/PRE/v88/i1/e012125
  3. Flayac, H., Savenko, I.G., An exciton-polariton mediated all-optical router, Applied Physics Letters 103, 201105 1-5 (2013). http://scitation.aip.org/content/aip/journal/apl/103/20/10.1063/1.4830007
  4. Savenko I. G., Polozkov R. G., Shelykh I. A., Spin transport in an Aharonov-Bohm ring with exchange interaction, Physical Review B 88, 195430 1-8 (2013). http://prb.aps.org/abstract/PRB/v88/i19/e195430
  5. Mäkelä, H., and Möttönen, M., Effects of the rotating wave and secular approximations on non-Markovianity, Physical Review A 88, 052111 (2013). http://pra.aps.org/abstract/PRA/v88/i5/e052111
  6. Jones, P., Huhtamäki, J.A.M., Salmilehto, J., Tan, K.Y., and Möttönen, M., Tunable electromagnetic environment for superconducting quantum bits, Scientific Reports 3, 1987 (2013). http://www.nature.com/srep/2013/130613/srep01987/full/srep01987.html
  7. Jones, P. J., Salmilehto, J., and Möttönen, M., Highly Controllable Qubit-Bath Coupling Based on a Sequence of Resonators, Journal of Low Temperature Physics 173, 152 (2013). http://link.springer.com/article/10.1007/s10909-013-0889-3
  8. Koski, J. V., Sagawa, T., Saira, O.-P., Yoon, Y., Kutvonen, A., Solinas, P., Möttönen, M., Ala-Nissila, T., Pekola, J. P., Distribution of Entropy Production in a Single-Electron Box, Nature Physics 9, 644 (2013). http://www.nature.com/nphys/journal/v9/n10/full/nphys2711.html
  9. Mäkelä H. and Lundh E., Excitation spectrum of a toroidal spin-1 Bose-Einstein condensate, Physical Review A 88, 033622 (2013). http://pra.aps.org/abstract/PRA/v88/i3/e033622
  10. Kuopanportti, P., Anderson, B. P., and Möttönen, M., Vortex pump for a Bose-Einstein condensate utilizing a time-averaged orbiting potential trap, Physical Review A 87, 033623 (2013). http://link.aps.org/doi/10.1103/PhysRevA.87.033623
  11. Wu, H., Gauger, E. M., George, R. E., Möttönen, M., Riemann, H., Abrosimov, N. V., Becker, P., Pohl, H.-J., Itoh, K. M., Thewalt, M. L. W. , Morton, J. J. L., Geometric Phase Gates with Adiabatic Control in Electron Spin Resonance, Physical Review A 87, 032326 (2013). http://pra.aps.org/abstract/PRA/v87/i3/e032326
  12. Pekola, J. P., Saira, O.-P., Maisi, V. F., Kemppinen, A., Möttönen, M., Pashkin, Yu. A., Averin, D. V., Single-electron current sources: towards a refined definition of ampere, Reviews of Modern Physics 85, 1421 (2013). http://rmp.aps.org/abstract/RMP/v85/i4/p1421_1

Quantum Dynamics publications since 2013

2017 (6)

  1. Lerario, G., Fieramosca, A., Barachati, F., Ballarini, D., Daskalakis, K. S., Dominici, L., De Giorgi, M., Maier, S. A., Gigli, G., Kéna-Cohen, S., and Sanvitto, D., Room-temperature superfluidity in a polariton condensate, Nature Physics No. 1, 1 (2017).
  2. Martikainen, J.-P., Moilanen, A. J., and Törmä, P., Coupled dipole approximation across the Γ-point in a finite-sized nanoparticle array, Philosophical Transactions of the Royal Society A 375, 20160316 (2017). http://rsta.royalsocietypublishing.org/content/375/2090/20160316.article-info
  3. Guo, R., Hakala, T. K., and Törmä, P., Geometry dependence of surface lattice resonances in plasmonic nanoparticle arrays, Physical Review B 95, 155423 (2017). https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.155423
  4. Liang, L., Vanhala, T.I., Peotta, S., Siro, T. , Harju, A., and Törmä, P., Band geometry, Berry curvature and superfluid weight, Physical Review B 95, 024515 (2017). http://link.aps.org/doi/10.1103/PhysRevB.95.024515
  5. Kreula, J.M., Valtolina, G., and Törmä, P., Spin-asymmetric Josephson plasma oscillations, Physical Review A 95, 013634 (2017). http://link.aps.org/doi/10.1103/PhysRevA.95.013634
  6. Hakala, T. K., Rekola, H. T.,Väkeväinen, A. I., Martikainen J.-P., Nečada, M., Moilanen, A. J., and Törmä, P., Lasing in dark and bright modes of a finite-sized plasmonic lattice, Nature Communications 8, 13687 (2017). http://www.nature.com/articles/ncomms13687

2016 (13)

  1. Vanhala, T.I., Siro, T., Liang, L., Troyer, M., Harju, A., and Törmä, P., Topological phase transitions in the repulsively interacting Haldane-Hubbard model, Physical Review Letters 116, 225305 (2016). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.116.225305
  2. Huttunen, M.J., Dolgaleva, K., Törmä, P., and Boyd, R.W., Ultra-strong polarization dependence of surface lattice resonances with out-of-plane plasmon oscillations, Optics Express 24, 28279 (2016). https://www.osapublishing.org/oe/abstract.cfm?uri=oe-24-25-28279
  3. Tsargorodska, A., Cartron, M.L., Vasilev, C., Kodali, G., Mass, O., Baumberg, J.J., Dutton, P.L., Hunter, C.N., Törmä, P., and Leggett, G.J., Strong Coupling of Localized Surface Plasmons to Excitons in Light-Harvesting Complexes, Nano Letters 16, 6850 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b02661
  4. Tovmasyan, M., Peotta, S., Törmä, P., and Huber, S.D., Effective theory and emergent SU(2) symmetry in the flat bands of attractive Hubbard models, Physical Review B 94, 245149 (2016). https://doi.org/10.1103/PhysRevB.94.245149
  5. Visuri, A.-M., Kinnunen, J. J., Baarsma, J. E., and Törmä, P., Decoherence of an impurity in a one-dimensional fermionic bath with mass imbalance, Physical Review A 94, 013619 (2016). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.94.013619
  6. Julku A., Peotta S., Vanhala T., Kim D.-H., and Törmä P., Geometric origin of superfluidity in the Lieb lattice flat band, Physical Review Letters 117, 045303 (2016). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.045303
  7. Kataja, M., Pourjamal, S., Maccaferri, N., Vavassori, P., Hakala, T.K., Huttunen, M.J., Törmä, P., and van Dijken, S., Hybrid plasmonic lattices with tunable magneto-optical activity, Optics Express 24, 3652 (2016). https://www.osapublishing.org/oe/abstract.cfm?uri=oe-24-4-3652&origin=search
  8. Majoinen, J., Hassinen, J., Haataja, J. S., Rekola, H. T., Kontturi, E., Kostiainen, M. A., Ras, R. H. A., Törmä, P., Ikkala, O., Chiral plasmonics using twisting along cellulose nanocrystals as a template for gold nanoparticles, Advanced Materials 28, pp. 5262- 5267 (2016). http://onlinelibrary.wiley.com/doi/10.1002/adma.201600940/abstract
  9. Martikainen, J.-P., Hakala, T. K., Rekola, H. T., and Törmä, P., Modelling lasing in plasmonic nanoparticle arrays, Journal of Optics: Special issue on quantum plasmonics 18, 024006 (2016). http://iopscience.iop.org/article/10.1088/2040-8978/18/2/024006/
  10. Dhar, A., Kinnunen, J.J., and Törmä, P., Population imbalance in the extended Fermi-Hubbard model, Physical Review B 94, 075116 (2016). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.075116
  11. Visuri, A.-M, Giamarchi, T., Törmä, P., Excitations and impurity dynamics in a fermionic Mott insulator with nearest-neighbor interactions, Physical Review B 93, 125110 (2016). https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.125110
  12. Törmä, P., Physics of ultracold Fermi gases revealed by spectroscopies, Physica Scripta: Focus Issue on Quantum Optics in the International Year of Light 91, 043006 (2016). http://iopscience.iop.org/article/10.1088/0031-8949/91/4/043006/
  13. Baarsma, J.E., and Törmä, P., Larkin-Ovchinnikov phases in two-dimensional square lattices., Journal of Modern Optics: Special Issue on 20 Years of Bose-Einstein Condensates: Current trends and applications in ultracold quantum gases 63, 1795 (2016). http://www.tandfonline.com/doi/full/10.1080/09500340.2015.1128009

2015 (15)

  1. Guo, R., Derom, S., Väkeväinen, A. I., van Dijk-Moes, R. J. A., Liljeroth, P., Vanmaekelbergh, D., and Törmä, P., Controlling quantum dot emission by plasmonic nanoarrays, Optics Express 23, 28206 (2015). http://dx.doi.org/10.1364/OE.23.028206
  2. Yin, Shaoyu, Baarsma, J.E., Heikkinen, M.O.J., Martikainen, J.-P., Törmä, P., Superfluid phases of fermions with hybridized s and p orbitals, Physical Review A 92, 053616 (2015). http://dx.doi.org/10.1103/PhysRevA.92.053616
  3. Peotta, S., Törmä, P., Superfluidity in topologically nontrivial flat bands, Nature Communications 6, 8944 (2015). http://www.nature.com/ncomms/2015/151120/ncomms9944/abs/ncomms9944.html
  4. Doggen, E.V.H., Peotta, S., Törmä, P. and Kinnunen, J.J., Dynamical symmetry and pair tunneling in a one-dimensional Bose gas colliding with a mobile impurity, Physical Review A 92, 032705 (2015). http://dx.doi.org/10.1103/PhysRevA.92.032705
  5. Chien, C.-C. , Peotta, S., and Di Ventra, M., Quantum transport in ultracold atoms, Nature Physics 11, 998-1004 (2015). http://dx.doi.org/10.1038/nphys3531
  6. Kinnunen, J. J. and Bruun, G. M., Induced interactions in a superfluid Bose-Fermi mixture, Physical Review A 91, 041605(R) (2015). http://dx.doi.org/10.1103/PhysRevA.91.041605
  7. Törmä, P., Sengstock, K. (Editors), Quantum Gas Experiments - Exploring Many-Body States, Imperial College Press, Cold Atoms Series 3, - (2015). http://www.worldscientific.com/worldscibooks/10.1142/p945
  8. Pinheiro, F., Martikainen, J.-P., Larson, J., Phases of d-orbital bosons in optical lattices, New Journal of Physics 17, 053004 (2015). http://lanl.arxiv.org/abs/1501.03514
  9. Doggen, E. V. H. and Kinnunen, J. J., Momentum-resolved spectroscopy of a Fermi liquid, Scientific Reports 5, 9539 (2015). http://dx.doi.org/10.1038/srep09539
  10. Vanhala, T. I., Baarsma, J. E., Heikkinen, M. O. J., Troyer, M., Harju, A., and Törmä, P., Superfluidity and Density Order in a Bilayer Extended Hubbard Model, Physical Review B 91, 144510 (2015). http://dx.doi.org/10.1103/PhysRevB.91.144510
  11. Sarjonen, R., and Törmä, P., Topological States with Broken Translational and Time-Reversal Symmetries in a Honeycomb-Triangular Lattice, Physical Review A 91, 063605 (2015). http://link.aps.org/doi/10.1103/PhysRevA.91.063605
  12. Kataja, M., Hakala, T.K., Julku, A., Huttunen, M.J., van Dijken, S., and Törmä, P., Surface lattice resonances and magneto-optical response in magnetic nanoparticle arrays, Nature Communications 6, 7072 (2015). http://dx.doi.org/10.1038/ncomms8072
  13. Huttunen, M.J., Partanen, M., Bautista, G., Chu, S., Kauranen, M., Nonlinear optical activity effects in complex anisotropic three-dimensional media, Optical Materials Express 5, 11-21 (2015). http://dx.doi.org/10.1364/OME.5.000011
  14. Dhar, A., Rossini, D., and Das, B. P., Quasiadiabatic dynamics of ultracold bosonic atoms in a one-dimensional optical superlattice, Physical Review A 92, 033610 (2015). http://dx.doi.org/10.1103/PhysRevA.92.033610
  15. Törmä, P., and Barnes, W.L., Strong coupling between surface plasmon polaritons and emitters: a review, Reports on Progress in Physics 78, 013901 (2015). http://iopscience.iop.org/0034-4885/78/1/013901/article

2014 (14)

  1. Martikainen J.-P., Heikkinen M. O. J., and Törmä P., Condensation phenomena in plasmonics, Physical Review A 90, 053604 (2014). https://journals.aps.org/pra/abstract/10.1103/PhysRevA.90.053604
  2. Shi, L., Yuan, X., Zhang, Y., Hakala, T.K., Yin, S., Han, D., Zhu, X., Zhang, B., Liu, X., Törmä, P., Lu, W., and Zi, J., Coherent Fluorescence Emission by Using Hybrid Photonic-Plasmonic Crystals, Laser & Photonics Reviews 8, 717 (2014). http://onlinelibrary.wiley.com/doi/10.1002/lpor.201300196/abstract
  3. Bautista, G., Pfisterer, S.G., Huttunen, M.J., Ranjan S., Kanerva, K., Ikonen, E., and Kauranen, M., Polarized THG Microscopy Identifies Compositionally Different Lipid Droplets in Mammalian Cells, Biophysical Journal 107, 2230-2236 (2014). http://www.cell.com/biophysj/abstract/S0006-3495%2814%2901060-1
  4. Doggen, E. V. H. and Kinnunen, J. J., Quench-induced delocalization, New Journal of Physics 16, 113051 (2014). http://iopscience.iop.org/1367-2630/16/11/113051
  5. Mikkilä, J., Eskelinen, A.-P., Niemelä, E.-H., Linko, V., Frilander, M.J., Törmä, P., and Kostiainen, M.A., Virus-Encapsulated DNA Origami Nanostructures for Cellular Delivery, Nano Letters 14, 2196 (2014). http://pubs.acs.org/doi/abs/10.1021/nl500677j
  6. Heikkinen, M. O. J. , Kim, D.-H., Troyer, M., Törmä, P., Non-local quantum fluctuations and fermionic superfluidity in the attractive Hubbard model, Physical Review Letters 113, 185301 (2014). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.185301
  7. Doggen, E.V.H., Korolyuk, A., Törmä, P. and Kinnunen, J.J., One-dimensional Fermi polaron in a combined harmonic and periodic potential, Physical Review A 89, 053621 (2014). http://journals.aps.org/pra/abstract/10.1103/PhysRevA.89.053621
  8. Väkeväinen, A.I., Moerland, R.J., Rekola, H.T., Eskelinen, A.-P., Martikainen, J.-P., Kim, D.-H., and Törmä, P., Plasmonic Surface Lattice Resonances at the Strong Coupling Regime, Nano Letters 14, 1721 (2014). http://pubs.acs.org/doi/abs/10.1021/nl4035219
  9. Eskelinen, A.-P., Moerland, R.J., Kostiainen, M.A., and Törmä, P., Self-Assembled Silver Nanoparticles in a Bow-Tie Antenna Configuration, Small 10, 1057 (2014). http://onlinelibrary.wiley.com/doi/10.1002/smll.201302046/abstract
  10. Shi, L., Hakala, T.K., Rekola, H.T., Martikainen, J.-P., Moerland, R.J., Törmä, P., Spatial Coherence Properties of Organic Molecules Coupled to Plasmonic Surface Lattice Resonances in the Weak and Strong Coupling Regimes, Physical Review Letters 112, 153002 (2014). https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.153002
  11. Visuri, A.-M., Kim, D.-H., Kinnunen, J. J., Massel, F., and Törmä, P., Moving perturbation in a one-dimensional Fermi gas, Physical Review A 90, 051603(R) (2014). https://journals.aps.org/pra/abstract/10.1103/PhysRevA.90.051603
  12. Shaoyu Yin, J.-P. Martikainen, and P. Törmä, Fulde-Ferrell states and Berezinskii-Kosterlitz-Thouless phase transition in two-dimensional imbalanced Fermi gases, Physical Review B 89, 014507 (2014). http://prb.aps.org/abstract/PRB/v89/i1/e014507
  13. Korolyuk, A., Kinnunen, J.J., and Törmä, P., Collective excitations of a trapped Fermi gas at finite temperature, Physical Review A 89, 013602 (2014). http://pra.aps.org/abstract/PRA/v89/i1/e013602
  14. Kreula, J.M., Heikkinen, M.O.J., Massel, F., and Törmä, P., Tunable critical supercurrent and spin-asymmetric Josephson effect in superlattices, Physical Review B 89, 064502 (2014). https://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.064502

2013 (6)

  1. F. Pinheiro, Georg M. Bruun, J.-P. Martikainen, and J. Larson, XYZ quantum Heisenberg models with p-orbital bosons, Physical Review Letters 111, 205302 (2013). http://xxx.lanl.gov/abs/1304.3178
  2. Doggen, E. V. H. and Kinnunen, J. J., Energy and Contact of the One-Dimensional Fermi Polaron at Zero and Finite Temperature, Physical Review Letters 111, 025302 (2013). http://prl.aps.org/abstract/PRL/v111/i2/e025302
  3. Heikkinen, M.O.J, Kim, D.-H., Törmä, P., Finite temperature stability and dimensional crossover of exotic superfluidity in lattices, Physical Review B 87, 224513 (2013). http://prb.aps.org/abstract/PRB/v87/i22/e224513
  4. Massel, F., Kantian, A., Daley, A.D., Giamarchi, T., and Törmä, P., Dynamics of an impurity in a one-dimensional lattice, New Journal of Physics 15, 045018 (2013). http://iopscience.iop.org/1367-2630/15/4/045018/
  5. Kim, D.-H., Lehikoinen, J. S. J., Törmä, P., Topological transitions of gapless paired states in mixed-geometry lattices, Physical Review Letters 110, 055301 (2013). http://link.aps.org/doi/10.1103/PhysRevLett.110.055301
  6. Leiterer, C., Berg, S., Eskelinen, A.-P., Csaki, A., Urban, M., Törmä, P., Fritzsche, W., Assembling gold nanoparticle chains using an AC electrical field: Electrical detection of organic thiols, Sensors and Actuators B: Chemical 176, 368 (2013). http://www.sciencedirect.com/science/article/pii/S0925400512010015

Quantum Many-Body Physics publications since 2013

2017 (2)

  1. Kumar, A., Banerjee, K., Dvorak, M., Schulz, F., Harju, A., Rinke, P., and Liljeroth, P., Charge-Transfer Driven Nonplanar Adsorption of F4TCNQ Molecules on Epitaxial Graphene, ACS Nano 11, 4960-4968 (2017). http://pubs.acs.org/doi/abs/10.1021/acsnano.7b01599
  2. Drost, R. Ojanen, T. Harju, A. and Liljeroth, P., Topological states in engineered atomic lattices, Nature Physics 13, AOP (2017). http://dx.doi.org/10.1038/nphys4080

2016 (3)

  1. Vanhala, T.I., Siro, T., Liang, L., Troyer, M., Harju, A., and Törmä, P., Topological phase transitions in the repulsively interacting Haldane-Hubbard model, Physical Review Letters 116, 225305 (2016). http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.116.225305
  2. Mortazavi, B., Fan, Z., Pereira, L.F.C., Harju, A, Rabczuk, T., Amorphized graphene: A stiff material with low thermal conductivity, Carbon 103, 318-326 (2016). http://dx.doi.org/10.1016/j.carbon.2016.03.007
  3. Zubiaga, A., Ervasti, M.M., Makkonen, I., Harju, A., Tuomisto, F., and Puska, M. J., Modeling positronium beyond the single particle approximation, Journal of Physics B: Atomic, Molecular and Optical Physics 49, 064005 (2016). http://dx.doi.org/10.1088/0953-4075/49/6/064005

2015 (12)

  1. Thomsen, M.R., Ervasti, M.M., Harju, A., and Pedersen, T.G., Spin relaxation in hydrogenated graphene, Physical Review B 92, 195408 (2015). http://dx.doi.org/10.1103/PhysRevB.92.195408
  2. Kimouche, A., Ervasti, M.M., Drost, R., Halonen, S., Harju, A., Joensuu, P.M., Sainio, J., Liljeroth, P., Ultra-narrow metallic armchair graphene nanoribbons, Nature Communications 6, 10177 (2015). http://dx.doi.org/10.1038/ncomms10177
  3. Drost, R., Kezilebieke, S., Ervasti, M.M., Hämäläinen, S.K., Schulz, F., Harju, A., Liljeroth, P., Synthesis of Extended Atomically Perfect Zigzag Graphene - Boron Nitride Interfaces, Scientific Reports 5, 16741 (2015). http://dx.doi.org/10.1038/srep16741
  4. Järvinen, P., Kumar, A., Drost, R., Kezilebieke, S., Uppstu, A., Harju, A., Liljeroth, P., Field-Emission Resonances on Graphene on Insulators, Journal of Physical Chemistry C 119, 23951-23954 (2015). http://dx.doi.org/10.1021/acs.jpcc.5b06374
  5. Ervasti, MM; Fan, ZY; Uppstu, A; Krasheninnikov, AV; Harju, A, Silicon and silicon-nitrogen impurities in graphene: Structure, energetics, and effects on electronic transport, Physical Review B 92, pp. 235411 (2015). http://dx.doi.org/10.1103/PhysRevB.92.235412
  6. Fan, Z., Uppstu, A., Harju, A., Electronic and transport properties in geometrically disordered graphene antidot lattices, Physical Review B 91, 125434 (2015). http://dx.doi.org/10.1103/PhysRevB.91.125434
  7. Fan, Z., Pereira, L. F. C., Wang, H.-Q., Zheng, J.-C., Donadio, D., Harju, A., Force and heat current formulas for many-body potentials in molecular dynamics simulation with applications to thermal conductivity calculations, Physical Review B 92, 094301 (2015). http://dx.doi.org/10.1103/PhysRevB.92.094301
  8. Bakker, M.A., Mehl, S., Hiltunen, T., Harju, A., DiVincenzo, D.P., Validity of the single-particle description and charge noise resilience for multi-electron quantum dots, Physical Review B 91, 155425 (2015). http://dx.doi.org/10.1103/PhysRevB.91.155425
  9. Schulz, F., Ijäs, M., Drost, R., Hämäläinen, S.K., Harju, A., Seitsonen, A.P., Liljeroth, P., Many-body transitions in a single molecule visualized by scanning tunnelling microscopy, Nature Physics 11, 229-234 (2015). http://dx.doi.org/10.1038/nphys3212
  10. Hiltunen Tuukka,Bluhm Hendrik, Mehl Sebastian, Harju Ari, Charge-noise tolerant exchange gates of singlet-triplet qubits in asymmetric double quantum dots, Physical Review B 91, 075301 (2015). http://dx.doi.org/10.1103/PhysRevB.91.075301
  11. Vanhala, T. I., Baarsma, J. E., Heikkinen, M. O. J., Troyer, M., Harju, A., and Törmä, P., Superfluidity and Density Order in a Bilayer Extended Hubbard Model, Physical Review B 91, 144510 (2015). http://dx.doi.org/10.1103/PhysRevB.91.144510
  12. Räsänen, E., Odriazola, A., Makkonen, I., and Harju, A., Self-consistent total-energy approximation for electron gas systems, Physica Status Solidi (b) 252, pp. 496-501 (2015). http://dx.doi.org/10.1002/pssb.201451309

2014 (11)

  1. Drost, R., Uppstu, A., Schulz, F., Hämäläinen, S.K., Ervasti, M., Harju, A. and Liljeroth, P., Electronic states at the graphene - hexagonal boron nitride zigzag interface, Nano Letters 14, 5128-5132 (2014). http://pubs.acs.org/doi/abs/10.1021/nl501895h
  2. Järvinen, P., Hämäläinen, S.K., Ijäs, M., Harju A., Liljeroth, P., Self-Assembly and Orbital Imaging of Metal Phthalocyanines on a Graphene Model Surface, Journal of Physical Chemistry C 118, 13320-13325 (2014). http://pubs.acs.org/doi/abs/10.1021/jp504813v
  3. Siro, T., Ervasti, M., and Harju, A., Impurities and Landau level mixing in a fractional quantum Hall state in a flatband lattice model, Physical review B 90, 165101 (2014). http://arxiv.org/abs/1405.2211
  4. Hiltunen T., Harju A., Capacitative coupling of singlet-triplet qubits in different inter-qubit geometries, Physical Review B 90, 125303 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.125303
  5. Oksanen, M., Uppstu, A., Laitinen, A., Cox, D.J., Craciun, M., Russo, S., Harju, A., Hakonen, P., Single-mode and multi-mode Fabry-Pérot interference in suspended graphene, Physical Review B 89, 121414(R) (2014). http://dx.doi.org/10.1103/PhysRevB.89.121414
  6. Uppstu, A., Fan, Z., and Harju, A., Obtaining localization properties efficiently using the Kubo-Greenwood formalism, Physical Review B 89, 075420 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.075420
  7. Fan, Z., Uppstu, A. and Harju, A., Anderson localization in two-dimensional graphene with short-range disorder: One-parameter scaling and finite-size effects, Physical Review B 89, 245422 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.245422
  8. Hiltunen T. and Harju A., Maximal tripartite entanglement between singlet-triplet qubits in quantum dots, Physical Review B 89, 115322 (2014). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.115322
  9. Tuomisto, F., Norrman, V., and Makkonen, I., On the sensitivity of positron annihilation signals to alloy homogeneity in InxGa1-xN, Journal of Physics: Conference Series 505, 012042 (2014). http://dx.doi.org/10.1088/1742-6596/505/1/012042
  10. Makkonen, I., Ervasti, M. M., Siro, T., and Harju, A., Enhancement models of momentum densities of annihilating electron-positron pairs: The many-body picture of natural geminals, Physical Review B (Rapid Communications) 89, 041105(R) (2014). http://link.aps.org/doi/10.1103/PhysRevB.89.041105
  11. Fan, Z., Uppstu, A., Siro, T., and Harju, A., Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene, Computer Physics Communications 185, 28-39 (2014). http://arxiv.org/abs/1307.0288

2013 (12)

  1. Hiltunen, T., Ritala, J., Siro, T., and Harju A., Non-adiabatic charge state transitions in singlet-triplet qubits, New Journal of Physics 15, 103015 (2013). http://iopscience.iop.org/1367-2630/15/10/103015/
  2. Järvinen, P., Hämäläinen, S.K., Banerjee, K., Häkkinen, P., Ijäs, M., Harju, A., Liljeroth, P., Molecular self-assembly on graphene on SiO2 and h-BN substrates, Nano Letters 13, 3199-3204 (2013). http://dx.doi.org/10.1021/nl401265f
  3. van der Lit, J., Boneschanscher, M.P., Vanmaekelbergh, D., Ijäs, M., Uppstu, A., Ervasti, M., Harju, A., Liljeroth, P., and Swart, I., Suppression of electron-vibron coupling in graphene nanoribbons contacted via a single atom, Nature Communications 4, 2023 (2013). http://www.nature.com/ncomms/2013/130612/ncomms3023/full/ncomms3023.html
  4. Ijaes, M., Ervasti, M., Uppstu, A., Liljeroth, P., van der Lit, J., Swart, I., Harju, A., Electronic states in finite graphene nanoribbons: Effect of charging and defects, Physical Review B 88, 075429 (2013). http://arxiv.org/abs/1306.2723
  5. Ijäs, M., Havu, P., Harju, A., Interaction of chlorine with Stone-Wales defects in graphene and carbon nanotubes, and thermodynamical prospects of chlorine-induced nanotube unzipping, Physical Review B 87, 205430 (2013). http://prb.aps.org/abstract/PRB/v87/i20/e205430
  6. Tuomisto, F. and Makkonen, I., Defect identification in semiconductors with positron annihilation: Experiment and theory, Reviews of Modern Physics 85, pp. 1583-1631 (2013). http://link.aps.org/doi/10.1103/RevModPhys.85.1583
  7. Räsänen, E., Pittalis, S., Bekcioglu, G., Makkonen, I., Large two-dimensional electronic systems: Self-consistent energies and densities at low cost, Physical Review B 87, 035144 (2013). http://link.aps.org/doi/10.1103/PhysRevB.87.035144
  8. Fan, Z., Siro, T., Harju, A., Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations, Computer Physics Communications 184, 1414-1425 (2013). http://arxiv.org/abs/1211.3892
  9. Odriazola, A., Ervasti, M.M., Makkonen, I., Delgado, A., Gonzalez, A., Räsänen, E, and Harju, A., Scaling in the correlation energies of two-dimensional artificial atoms, Journal of Physics: Condensed Matter 25, 505504 (2013). http://dx.doi.org/10.1088/0953-8984/25/50/505504
  10. Harju, A., Siro, T., Federici Canova, F., Hakala, S., Rantalaiho, T., Computational Physics on Graphics Processing Units, Lecture Notes in Computer Science 7782, 3-26 (2013). http://arxiv.org/abs/1210.7930
  11. Siro, T., Harju, A., Time propagation of many-body quantum states on graphics processing units, Lecture Notes in Computer Science 7782, 141-152 (2013). http://dx.doi.org/10.1007/978-3-642-36803-5_10
  12. Kopnin, N.B., Ijäs, M., Harju, A., Heikkilä, T.T., High-temperature surface superconductivity in rhombohedral graphite, Physical Review B 87, 140503 (2013). http://arxiv.org/abs/1210.7595

Surfaces and Interfaces at the Nanoscale publications since 2013

2016 (3)

  1. Banerjee, K., Kumar, A., Federici Canova, F., Kezilebieke, S., Foster, A.S., Liljeroth, P., Flexible Self-Assembled Molecular Templates on Graphene, Journal of Physical Chemistry C 120, 8772−8780 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b01638
  2. Hynninen, T., Himanen, L., Parkkinen, V., Musso, T., Corander, J., and Foster, A.S., An object oriented Python interface for atomistic simulations, Computer Physics Communications 198, pp. 230-237 (2016). http://dx.doi.org/10.1016/j.cpc.2015.09.010
  3. Hofmann, S., Voitchovsky, K., Spijker, P., Schmidt, M., and Stumpf, T., Visualising the molecular alteration of the calcite (104)-water interface by sodium nitrate, Scientific Reports 6, 21576 (2016). http://www.nature.com/articles/srep21576

2015 (8)

  1. Heikkinen, O., Pinto, H., Sinha, G., Hämäläinen, S.K., Sainio, J., Öberg, S., Briddon, P.R., Foster, A.S., Lahtinen, J., Characterization of a Hexagonal Phosphorus Adlayer on Platinum (111), The Journal of Physical Chemistry C 119, 12291-12297 (2015). http://dx.doi.org/10.1021/jp5126816
  2. Fukuma, T., Reischl, B., Kobayashi, N., Spijker, P., Canova, F. F., Miyazawa, K., and Foster, A. S., Mechanism of atomic force microscopy imaging of three-dimensional hydration structures at a solid-liquid interface, Physical Review B 92, 155412 (2015). http://dx.doi.org/10.1103/PhysRevB.92.155412
  3. Tracey, J., Federici Canova, F., Keisanen, O., Gao, D. Z., Spijker, P., Reischl, B., and Foster, A. S., Flexible and modular virtual scanning probe microscope, Computer Physics Communications 196, 429 (2015). http://linkinghub.elsevier.com/retrieve/pii/S0010465515001939,
  4. Kawai, S., Saito, S., Osumi, S., Yamaguchi, S., Foster, A. S., Spijker, P., and Meyer, E., Atomically controlled substitutional boron-doping of graphene nanoribbons, Nature Communications 6, 8098 (2015). http://dx.doi.org/10.1038/ncomms9098
  5. Chen, W., Foster, A.S., Alava, M.J., and Laurson, L., Stick-Slip Control in Nanoscale Boundary Lubrication by Surface Wettability, Physical Review Letters 114, 095502 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.095502
  6. Manzato, C., Foster, A.S., Alava, M.J., and Laurson, L., Friction control with nematic lubricants via external fields, Physical Review E 91, 012504 (2015). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.91.012504
  7. Holmström E. and Stixrude L., Spin Crossover in Ferropericlase from First-Principles Molecular Dynamics, Physical Review Letters 114, 117202 (2015). http://dx.doi.org/10.1103/PhysRevLett.114.117202
  8. Jones, R; Goss, JP; Pinto, H; Palmer, DW, Diffusion of nitrogen in diamond and the formation of A-centres, Diamond and Related Materials 53, pp. 35-39 (2015). http://dx.doi.org/10.1016/j.diamond.2015.01.002

2014 (10)

  1. Musso, T., Kumar, P. V., Foster, A. S., and Grossman, J. C., Graphene Oxide as a Promising Hole Injection Layer for MoS2-Based Electronic Devices, ACS Nano 8, 11432 (2014). http://pubs.acs.org/doi/pdf/10.1021/nn504507u
  2. Jensen, T. N., Meinander, K., Helveg, S., Foster, A. S., Kulju, S., Musso, T., and Lauritsen, J. V., Atomic Structure of a Spinel-Like Transition Al2O3(100) Surface, Physical Review Letters 113, 106103 (2014). http://dx.doi.org/10.1103/PhysRevLett.113.106103
  3. Holmberg, N., Chen, J., Foster, A. S., and Laasonen, K., Dissolution of NaCl nanocrystals: an ab initio molecular dynamics study, Physical Chemistry Chemical Physics 16, 17437-17446 (2014). http://dx.doi.org/10.1039/C4CP00635F
  4. B. Hoff, M. Gingras, R. Peresutti, C. R. Henry, A. S. Foster, and C. Barth, Mechanisms of the Adsorption and Self-Assembly of Molecules with Polarized Functional Groups on Insulating Surfaces, The Journal of Physical Chemistry C 118, 14569 (2014). http://pubs.acs.org/doi/abs/10.1021/jp501738c
  5. Kawai, S., Foster, A. S., Canova, F. F., Onodera, H., Kitamura, S., and Meyer, E., Atom manipulation on an insulating surface at room temperature, Nature Communications 5, 4403 (2014). http://dx.doi.org/10.1038/ncomms5403
  6. Chen, W., Kulju, S., Foster, A.S., Alava, M.J., and Laurson, L., Boundary lubrication with a liquid crystal monolayer, Physical Review E 90, 012404 (2014). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.90.012404
  7. Pinto, Hugo, Markevich, Alexander, Electronic and electrochemical doping of graphene by surface adsorbates, Beilstein Journal of Nanotechnology 5, pp. 1842-1848 (2014). http://dx.doi.org/10.3762/bjnano.5.195
  8. Chen, J. C., Reischl, B., Spijker, P., Holmberg, N., Laasonen, K., and Foster, A. S., ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface, Phys. Chem. Chem. Phys. 16, 22545-22554 (2014). http://dx.doi.org/10.1039/C4CP02375G
  9. Spijker, P., Hiasa, T., Musso, T., Nishioka, T., Onishi, H., Foster, A.S., Understanding the interface of liquids with an organic crystal surface from atomisc simulations and AFM experiments, Journal of Physical Chemistry C 118, 2058-2066 (2014). http://dx.doi.org/10.1021/jp4106647
  10. Ricci, M., Spijker, P., and Voitchovsky K., Water-induced correlation between single ions imaged at the solid-liquid interface, Nature Communications 5, 4400 (2014). http://dx.doi.org/10.1038/ncomms5400

2013 (8)

  1. N. Samadashvili, B. Reischl, T. Hynninen, T. Ala-Nissila and A. S. Foster, Atomistic simulations of friction at an ice-ice interface, Friction 1, 242 (2013). http://dx.doi.org/10.1007/s40544-013-0021-3
  2. Linn Leppert, Rodrigo Q. Albuquerque, Adam S. Foster and Stephan Kümmel, Nanoalloys of Au and Pt: The interplay between fluxionality and electronic structure, Journal of Physical Chemistry 117, 17268 (2013).
  3. F. Federici Canova, S. Kawai, C. de Capitani, K. Kan?no, T. Glatzel, B. Such, A. S. Foster and E. Meyer, Energy loss triggered by atomic-scale lateral force, Physical Review Letters 110, 203203 (2013).
  4. Reischl, B., Watkins, M., and Foster, A. S., Free energy approaches for modeling atomic force microscopy in liquids, Journal of Chemical Theory and Computation 9, 600-608 (2013).
  5. T. Hynninen, G. Cabailh, A. S. Foster, and C. Barth, Defect mediated manipulation of nanoclusters on an insulator, Nature Scientific Reports 3, 1270 (2013). http://www.nature.com/srep/2013/130214/srep01270/full/srep01270.html
  6. Watkins, M., Reischl, B., A simple approximation for forces exerted on an AFM tip in liquid, Journal of Chemical Physics 138, 154703 (2013).
  7. Ricci, M., Spijker, P., Molinari, J. F., Stellacci, F., and Voïtchovsky, K., Direct visualization of single ions in the Stern layer of calcite, Langmuir 29, 2207-2216 (2013). http://dx.doi.org/10.1021/la3044736
  8. Harju, A., Siro, T., Federici Canova, F., Hakala, S., Rantalaiho, T., Computational Physics on Graphics Processing Units, Lecture Notes in Computer Science 7782, 3-26 (2013). http://arxiv.org/abs/1210.7930

Computational Electron Structure Theory publications since 2013

2017 (5)

  1. Stähler, J., and Rinke, P., Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces, Chemical Physics 485, 149 (2017). http://www.sciencedirect.com/science/article/pii/S0301010416306784
  2. Shang, H., Carbogno, C., Rinke, P., and Scheffler, M., Lattice dynamics calculations based on density-functional perturbation theory in real space, Computer Physics Communications 215, 26 (2017). http://www.sciencedirect.com/science/article/pii/S0010465517300437
  3. Hofmann, O. T., and Rinke, P., Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers, Advanced Electronic Materials 3, 1600373 (2017). http://dx.doi.org/10.1002/aelm.201600373
  4. Kivisaari, P., Sadi, T., Li, J., Rinke, P., and Oksanen, J., On the Monte Carlo Description of Hot Carrier Effects and Device Characteristics of III-N LEDs, Advanced Electronic Materials 3, 1600494 (2017). http://dx.doi.org/10.1002/aelm.201600494
  5. Kumar, A., Banerjee, K., Dvorak, M., Schulz, F., Harju, A., Rinke, P., and Liljeroth, P., Charge-Transfer Driven Nonplanar Adsorption of F4TCNQ Molecules on Epitaxial Graphene, ACS Nano 11, 4960-4968 (2017). http://pubs.acs.org/doi/abs/10.1021/acsnano.7b01599

2016 (11)

  1. Zhang, I. Y., Rinke, P., Perdew, J. P., and Scheffler, M., Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation,, Phys. Rev. Lett. 117, 133002 (2016). http://link.aps.org/doi/10.1103/PhysRevLett.117.133002
  2. Caruso, F., Dauth, M., van Setten, M. J., and Rinke, P., Benchmark of GW Approaches for the GW100 Test Set, J. Chem. Theory Comput. 12, 5076-5087 (2016). http://dx.doi.org/10.1021/acs.jctc.6b00774
  3. Atalla, V., Zhang, I. Y., Hofmann, O. T., Ren, X., Rinke, P., and Scheffler, M., Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation, Phys. Rev. B 94, 035140 (2016). http://link.aps.org/doi/10.1103/PhysRevB.94.035140
  4. Li, J., and Rinke, P., Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction, Phys. Rev. B 94, 045201 (2016). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.045201
  5. Delaney, K. T., Rinke, P., and Van de Walle, C. G., Erratum: Auger recombination rates in nitrides from first principles [Appl. Phys. Lett. 94, 191109 (2009)], Applied Physics Letters 108, 259901 (2016). http://scitation.aip.org/content/aip/journal/apl/108/25/10.1063/1.4954177
  6. Zhang, I. Y., Rinke, P., and Scheffler, M., Wave-function inspired density functional applied to the H2/H2+ challenge, New Journal of Physics 18, 073026 (2016). http://iopscience.iop.org/article/10.1088/1367-2630/18/7/073026/meta;jsessionid=43255C5A8AD677242D443EC7A1185C37.c1.iopscience.cld.iop.org
  7. Dauth, M., Caruso, F., Kümmel, S., Rinke, P., Piecewise linearity in the GW approximation for accurate quasiparticle energy predictions, Physical Review B 93, 121115 (2016). http://dx.doi.org/10.1103/PhysRevB.93.121115
  8. Gallandi, L., Marom, N., Rinke, P., and Körzdörfer, T, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals, Journal of Chemical Theory and Computation 12, 605-614 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00873
  9. Knight, J. W., Wang, X., Gallandi, L., Dolgounitcheva, O., Ren, X., Ortiz, J. V., Rinke, P., Körzdörfer, T., and Marom, N., Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods, Journal of Chemical Theory and Computation 12, 615-626 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00871
  10. Casadei, M., Ren, X., Rinke, P., Rubio, A., and Scheffler, M., Density functional theory study of the α-γ phase transition in cerium: Role of electron correlation and f-orbital localization, Phys. Rev. B 93, 075153 (2016). http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.075153
  11. Chibani, W., Ren, X., Scheffler, M., and Rinke, P., Self-consistent Green´s function embedding for advanced electronic structure methods based on a dynamical mean-field concept, Physical Review B 93, 165106 (2016). http://link.aps.org/doi/10.1103/PhysRevB.93.165106

2015 (17)

  1. Setten, M. J. v., Caruso, F., Sharifzadeh, S., Ren, X., Scheffler, M., Liu, F., Lischner, J., Lin, L., Deslippe, J. R., Louie, S. G., Yang, C., Weigend, F., Neaton, J. B., Evers, F., and Rinke, P., GW100: Benchmarking G0W0 for Molecular Systems, Journal of Chemical Theory and Computation 11, 5665-5687 (2015). http://dx.doi.org/10.1021/acs.jctc.5b00453
  2. Pinheiro, M., Caldas, M. J., Rinke, P., Blum, V., and Scheffler, M., Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach,, Physical Review B 92, 195134 (2015). http://dx.doi.org/10.1103/PhysRevB.92.195134
  3. Hofmann, O. T., Rinke, P., Scheffler, M., and Heimel, G., Correction to Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE, ACS Nano 9, 8637-8637 (2015). http://dx.doi.org/10.1021/acsnano.5b04655
  4. Sezen, H., Shang, H., Bebensee, F., Yang, C., Buchholz, M., Nefedov, A., Heissler, S., Carbogno, C., Scheffler, M., Rinke, P., and Woll, C., Corrigendum: Evidence for photogenerated intermediate hole polarons in ZnO, Nature Communications 6, 7694 (2015). http://dx.doi.org/10.1038/ncomms8694
  5. Ihrig, A. C., Wieferink, J., Zhang, I. Y., Ropo, M., Ren, X., Rinke, P., Scheffler, M., and Blum, V., Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory,, New Journal of Physics 17, 093020 (2015). http://dx.doi.org/10.1088/1367-2630/17/9/093020
  6. Ren, X., Marom, N., Caruso, F., Scheffler, M., and Rinke, P., Beyond the GW approximation: A second-order screened exchange correction, Physical Review B, Rapid Communication 92, 081104(R) (2015). http://dx.doi.org/10.1103/PhysRevB.92.081104
  7. Kioupakis, E., Steiauf, D., Rinke, P., Delaney, K. T., and Van de Walle, C. G., First-principles calculations of indirect Auger recombination in nitride semiconductors, Physical Review B 92, 035207 (2015). http://dx.doi.org/10.1103/PhysRevB.92.035207
  8. Deinert, J.-C., Hofmann, O. T., Meyer, M., Rinke, P., and Stähler, J., Local aspects of hydrogen-induced metallization of the ZnO(10-10) surface, Physical Review B 91, 235313 (2015). http://dx.doi.org/10.1103/PhysRevB.91.235313
  9. Sinai, O., Hofmann, O. T., Rinke, P., Scheffler, M., Heimel, G., and Kronik, L., Multiscale approach to the electronic structure of doped semiconductor surfaces,, Physical Review B 91, 075311 (2015). http://link.aps.org/doi/10.1103/PhysRevB.91.075311
  10. Sforzini, J. and Nemec, L. and Denig, T. and Stadtmüller, B. and Lee, T.-L. and Kumpf, C. and Soubatch, S. and Starke, U. and Rinke, P. and Blum, V. and Bocquet, F. C. and Tautz, F. S., Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6H-SiC(0001), Physical Review Letters 114, 106804 (2015). http://link.aps.org/doi/10.1103/PhysRevLett.114.106804
  11. Hofmann, O. T., Rinke, P., Scheffler, M., and Heimel, G., Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE, ACS Nano 9, 5391-5404 (2015). http://dx.doi.org/10.1021/acsnano.5b01164
  12. Sezen, H., Shang, H., Bebensee, F., Yang, C., Buchholz, M., Nefedov, A., Heissler, S., Carbogno, C., Scheffler, M., Rinke, P., Wöll, C., Evidence for photogenerated intermediate hole polarons in ZnO, Nature Communications 6, 6901 (2015).
  13. Nemec, L., Lazarevic, F., Rinke, P., Scheffler, M., and Blum, V., Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3 × 3) − 3C − SiC(-1-1-1) reconstruction, Physical Review B 91, 161408(R) (2015). http://dx.doi.org/10.1103/PhysRevB.91.161408
  14. Bieniek, B., Hofmann, O., and Rinke, P., Influence of hydrogen on the structure and stability of ultra-thin ZnO on metal substrates, Applied Physics Letters 106, 131602 (2015). http://dx.doi.org/10.1063/1.4917015
  15. Hellgren, M., Caruso, F., Rohr, D. R., Ren, X., Rubio, A., Scheffler, M., and Rinke, P., Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation, Physical Review B 91, 165110 (2015). http://dx.doi.org/10.1103/PhysRevB.91.165110
  16. Levchenko, S. V., Ren, X., Wieferink, J., Johanni, R., Rinke, P., Blum, V., and Scheffler, M., Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework, Computer Physics Communications 192, 60-69 (2015). http://dx.doi.org/10.1016/j.cpc.2015.02.021
  17. Pinheiro, M; Caldas, MJ; Rinke, P; Blum, V; Scheffler, M, Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach, Physical Review B 92, pp. 195134 (2015). http://dx.doi.org/10.1103/PhysRevB.92.195134