Davide Donadio
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Canonical sampling through velocity rescaling
G Bussi, D Donadio, M Parrinello
The Journal of chemical physics 126 (1), 014101, 2007
93182007
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
12772009
Length-dependent thermal conductivity in suspended single-layer graphene
X Xu, LFC Pereira, Y Wang, J Wu, K Zhang, X Zhao, S Bae, CT Bui, R Xie, ...
Nature communications 5 (1), 1-6, 2014
7652014
Atomistic simulations of heat transport in silicon nanowires
D Donadio, G Galli
Physical review letters 102 (19), 195901, 2009
3072009
Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime
F Trudu, D Donadio, M Parrinello
Physical review letters 97 (10), 105701, 2006
2492006
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
2282006
Homogeneous ice nucleation from supercooled water
T Li, D Donadio, G Russo, G Galli
Physical Chemistry Chemical Physics 13 (44), 19807-19813, 2011
2252011
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
2182008
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
2042007
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi
Nature methods 16 (8), 670-673, 2019
1842019
Temperature dependence of the thermal conductivity of thin silicon nanowires
D Donadio, G Galli
Nano letters 10 (3), 847-851, 2010
1722010
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
1552015
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
1542013
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
1492011
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), 1-20, 2016
1462016
Divergence of the thermal conductivity in uniaxially strained graphene
LFC Pereira, D Donadio
Physical Review B 87 (12), 125424, 2013
1452013
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
1442011
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
1352016
Heat transport in amorphous silicon: Interplay between morphology and disorder
Y He, D Donadio, G Galli
Applied Physics Letters 98 (14), 144101, 2011
1302011
Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations
Y He, I Savić, D Donadio, G Galli
Physical Chemistry Chemical Physics 14 (47), 16209-16222, 2012
1182012
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Artiklar 1–20