Sfoglia per Autore
Accurate sampling using Langevin dynamics
2007-01-01 Bussi, G.; Parrinello, M.
Canonical sampling through velocity rescaling
2007-01-01 Bussi, G.; Donadio, D.; Parrinello, M.
PHYS 410-Beta-hairpin folding with parallel-tempering and metadynamics
2007-01-01 Bussi, G.; Gervasio, F. L.; Laio, A.; Parrinello, M.
COMP 8-Canonical sampling through velocity rescaling
2007-01-01 Bussi, G.; Donadio, D.; Parrinello, M.
Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane
2008-01-01 Raiteri, P.; Bussi, G.; Cucinotta, C. S.; Credi, A.; Stoddart, J. F.; Parrinello, M.
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
2008-01-01 Barducci, A.; Bussi, G.; Parrinello, M.
Stochastic thermostats: comparison of local and global schemes
2008-01-01 Bussi, G.; Parrinello, M.
Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations
2008-01-01 Micheletti, C.; Bussi, G.; Laio, A.
A simple asynchronous replica-exchange implementation
2009-01-01 Bussi, G.
Isothermal-isobaric molecular dynamics using stochastic velocity rescaling
2009-01-01 Bussi, G.; Zykova-Timan, T.; Parrinello, M.
Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations
2009-01-01 Ceriotti, M.; Bussi, G.; Parrinello, M.
Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor
2009-01-01 Melis, C.; Bussi, G.; Lummis, S. C. R.; Molteni, C.
SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation
2009-01-01 Martin-Samos, L.; Bussi, G.
Nuclear quantum effects in solids using a colored-noise thermostat
2009-01-01 Ceriotti, M; Bussi, Giovanni; Parrinello, M.
Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide
2009-01-01 Mantz, Y. A.; Branduardi, D.; Bussi, G.; Parrinello, M.
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
2009-01-01 Bonomi, M.; Branduardi, D.; Bussi, G.; Camilloni, C.; Provasi, D.; Raiteri, P.; Donadio, D.; Marinelli, F.; Pietrucci, F.; Broglia, R. A.; Parrinello, M.
Colored-Noise Thermostats à la Carte
2010-01-01 Ceriotti, M.; Bussi, G.; Parrinello, M.
Unraveling effects of disorder on the electronic structure of SiO2 from first principles
2010-01-01 Martin samos, L.; Bussi, Giovanni; Ruini, A.; Molinari, E.; Caldas, M. J.
Nonkinetic modeling of the mechanical unfolding of multimodular proteins: theory and experiments
2011-01-01 Benedetti, F.; Micheletti, C.; Bussi, G.; Sekatskii, S. K.; Dietler, G.
SiO2 in density functional theory and beyond
2011-01-01 Martin-Samos, L.; Bussi, G.; Ruini, A.; Molinari, E.; Caldas, M. J.
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