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Giovanni Bussi
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引用次数
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Canonical sampling through velocity rescaling
G Bussi, D Donadio, M Parrinello
Journal of Chemical Physics 126, 014101, 2007
148082007
PLUMED 2: New feathers for an old bird
GA Tribello, M Bonomi, D Branduardi, C Camilloni, G Bussi
Computer Physics Communications 185 (2), 604-613, 2014
28482014
Well-tempered metadynamics: a smoothly converging and tunable free-energy method
A Barducci, G Bussi, M Parrinello
Physical review letters 100 (2), 020603, 2008
28002008
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
17382009
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
6802019
Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics
G Bussi, FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 128 (41), 13435-13441, 2006
5762006
Equilibrium free energies from nonequilibrium metadynamics
G Bussi, A Laio, M Parrinello
Physical review letters 96 (9), 090601, 2006
5222006
Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration
C Abrams, G Bussi
Entropy 16 (1), 163-199, 2014
4762014
Using metadynamics to explore complex free-energy landscapes
G Bussi, A Laio
Nature Reviews Physics 2, 200–212, 2020
4752020
RNA structural dynamics as captured by molecular simulations: a comprehensive overview
J Šponer, G Bussi, M Krepl, P Banáš, S Bottaro, RA Cunha, A Gil-Ley, ...
Chemical reviews 118 (8), 4177-4338, 2018
4442018
Accurate sampling using Langevin dynamics
G Bussi, M Parrinello
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (5 …, 2007
4172007
Isothermal-isobaric molecular dynamics using stochastic velocity rescaling
G Bussi, T Zykova-Timan, M Parrinello
The Journal of chemical physics 130 (7), 074101, 2009
3982009
Excitons in carbon nanotubes: An ab initio symmetry-based approach
E Chang, G Bussi, A Ruini, E Molinari
Physical review letters 92 (19), 196401, 2004
3602004
Colored-noise thermostats à la carte
M Ceriotti, G Bussi, M Parrinello
Journal of Chemical Theory and Computation 6 (4), 1170-1180, 2010
3122010
Metadynamics with adaptive Gaussians
D Branduardi, G Bussi, M Parrinello
Journal of chemical theory and computation 8 (7), 2247-2254, 2012
2872012
Nuclear quantum effects in solids using a colored-noise thermostat
M Ceriotti, G Bussi, M Parrinello
Physical review letters 103 (3), 030603, 2009
2782009
Hamiltonian replica exchange in GROMACS: a flexible implementation
G Bussi
Molecular Physics 112 (3-4), 379-384, 2014
2502014
Langevin equation with colored noise for constant-temperature molecular dynamics simulations
M Ceriotti, G Bussi, M Parrinello
Physical review letters 102 (2), 20601, 2009
2432009
Solid state effects on exciton states and optical properties of PPV
A Ruini, MJ Caldas, G Bussi, E Molinari
Physical review letters 88 (20), 206403, 2002
2112002
Pressure control using stochastic cell rescaling
M Bernetti, G Bussi
The Journal of Chemical Physics 153 (11), 114107, 2020
1772020
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