| Canonical sampling through velocity rescaling G Bussi, D Donadio, M Parrinello The Journal of chemical physics 126 (1), 2007 | 15829 | 2007 |
| PLUMED: A portable plugin for free-energy calculations with molecular dynamics M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ... Computer Physics Communications 180 (10), 1961-1972, 2009 | 1833 | 2009 |
| Length-dependent thermal conductivity in suspended single-layer graphene X Xu, LFC Pereira, Y Wang, J Wu, K Zhang, X Zhao, S Bae, C Tinh Bui, ... Nature communications 5 (1), 3689, 2014 | 1030 | 2014 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 772 | 2019 |
| Atomistic simulations of heat transport in silicon nanowires D Donadio, G Galli Physical review letters 102 (19), 195901, 2009 | 340 | 2009 |
| Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations Z Fan, LFC Pereira, HQ Wang, JC Zheng, D Donadio, A Harju Physical Review B 92 (9), 094301, 2015 | 309 | 2015 |
| Homogeneous ice nucleation from supercooled water T Li, D Donadio, G Russo, G Galli Physical Chemistry Chemical Physics 13 (44), 19807-19813, 2011 | 296 | 2011 |
| Freezing of a Lennard-Jones fluid: from nucleation to spinodal regime F Trudu, D Donadio, M Parrinello Physical review letters 97 (10), 105701, 2006 | 287 | 2006 |
| Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential J Behler, R Martoňák, D Donadio, M Parrinello Physical review letters 100 (18), 185501, 2008 | 277 | 2008 |
| Crystal structure transformations in SiO2 from classical and ab initio metadynamics R Martonak, D Donadio, AR Oganov, M Parrinello Nature Materials 5 (8), 623-626, 2006 | 260 | 2006 |
| Thermal conductivity of isolated and interacting carbon nanotubes: comparing results from molecular dynamics and the Boltzmann transport equation D Donadio, G Galli Physical review letters 99 (25), 255502, 2007 | 235 | 2007 |
| Nanophononics: state of the art and perspectives S Volz, J Ordonez-Miranda, A Shchepetov, M Prunnila, J Ahopelto, ... The European Physical Journal B 89, 1-20, 2016 | 207 | 2016 |
| Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach L Isaeva, G Barbalinardo, D Donadio, S Baroni Nature Communications 10, 3853, 2019 | 204 | 2019 |
| Blocking phonon transport by structural resonances in alloy-based nanophononic metamaterials leads to ultralow thermal conductivity S Xiong, K Sääskilahti, YA Kosevich, H Han, D Donadio, S Volz Physical review letters 117 (2), 025503, 2016 | 202 | 2016 |
| Temperature dependence of the thermal conductivity of thin silicon nanowires D Donadio, G Galli Nano letters 10 (3), 847-851, 2010 | 197 | 2010 |
| Divergence of the thermal conductivity in uniaxially strained graphene LFC Pereira, D Donadio Physical Review B—Condensed Matter and Materials Physics 87 (12), 125424, 2013 | 193 | 2013 |
| Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids Z Li, S Xiong, C Sievers, Y Hu, Z Fan, N Wei, H Bao, S Chen, D Donadio, ... The Journal of Chemical Physics 151, 234105, 2019 | 188 | 2019 |
| Hamiltonian adaptive resolution simulation for molecular liquids R Potestio, S Fritsch, P Espanol, R Delgado-Buscalioni, K Kremer, ... Physical review letters 110 (10), 108301, 2013 | 185 | 2013 |
| Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice MA Sánchez, T Kling, T Ishiyama, MJ van Zadel, PJ Bisson, M Mezger, ... Proceedings of the National Academy of Sciences 114 (2), 227-232, 2017 | 179 | 2017 |
| First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals C Zhang, D Donadio, F Gygi, G Galli Journal of Chemical Theory and Computation 7, 1443, 2011 | 178 | 2011 |
michele parrinelloDepartment of Chemistry確認したメール アドレス: phys.chem.ethz.ch
