Canonical sampling through velocity rescaling G Bussi, D Donadio, M Parrinello The Journal of chemical physics 126 (1), 2007 | 14750 | 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 | 1739 | 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 | 999 | 2014 |
Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 660 | 2019 |
Atomistic simulations of heat transport in silicon nanowires D Donadio, G Galli Physical review letters 102 (19), 195901, 2009 | 336 | 2009 |
Homogeneous ice nucleation from supercooled water T Li, D Donadio, G Russo, G Galli Physical Chemistry Chemical Physics 13 (44), 19807-19813, 2011 | 287 | 2011 |
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 | 286 | 2015 |
Freezing of a Lennard-Jones fluid: from nucleation to spinodal regime F Trudu, D Donadio, M Parrinello Physical review letters 97 (10), 105701, 2006 | 282 | 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 | 270 | 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 | 259 | 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 | 232* | 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 | 194 | 2016 |
Temperature dependence of the thermal conductivity of thin silicon nanowires D Donadio, G Galli Nano letters 10 (3), 847-851, 2010 | 194 | 2010 |
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 | 191 | 2016 |
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 | 182 | 2013 |
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 | 177 | 2019 |
Divergence of the thermal conductivity in uniaxially strained graphene LFC Pereira, D Donadio Physical Review B 87 (12), 125424, 2013 | 177 | 2013 |
Thermal transport in nanoporous silicon: interplay between disorder at mesoscopic and atomic scales Y He, D Donadio, JH Lee, JC Grossman, G Galli ACS nano 5 (3), 1839-1844, 2011 | 175 | 2011 |
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 | 172 | 2011 |
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 | 168 | 2017 |