Giovanni Bussi

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michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Sandro BottaroHumanitas University & IRCCS Humanitas Research HospitalVerified email at hunimed.eu
Elisa MOLINARIUniversity of Modena and Reggio Emilia & CNR-Nano, Modena, ItalyVerified email at unimore.it
Alice RUINIDipartimento di Scienze Fisiche, Informatiche e Matematiche, Universita' degli Studi di Modena e Reggio EmiliaVerified email at unimore.it
Davide BranduardiComputational Chemistry & Informatics Group at AstexVerified email at astx.com
Davide DonadioUniversity of California DavisVerified email at ucdavis.edu
Michal OtyepkaCATRIN, Palacký UniversityVerified email at upol.cz
Alessandro LaioSISSAVerified email at sissa.it
Massimiliano BonomiInstitut Pasteur - CNRSVerified email at pasteur.fr
Professor Paolo Raiteri, PhDCurtin UniversityVerified email at curtin.edu.au
Alejandro Gil-LeyFlagship LabsVerified email at fl80inc.com
Marilia Junqueira CaldasUniversity of São PauloVerified email at usp.br
Giovanni PinamontiFreie Universität, BerlinVerified email at fu-berlin.de
Carlo CamilloniUniversity of MilanoVerified email at unimi.it
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsVerified email at epfl.ch
Alessandro BarducciCentre de Biologie Structurale (CBS), Montpellier, FranceVerified email at cbs.cnrs.fr
Gareth TribelloSchool of Maths and Physics, Queen's University BelfastVerified email at qub.ac.uk
Vojtech MlynskyInstitute of Biophysics of the Czech Academy of Sciences, Brno, Czech RepublicVerified email at ibp.cz
Francesco Luigi GervasioProfessor of Pharmaceutical Sciences at University of Geneva & Professor of Chemistry UCLVerified email at ucl.ac.uk
Andrea CesariPhD, SISSAVerified email at sissa.it

Giovanni Bussi

Scuola Internazionale Superiore di Studi Avanzati, Trieste, Italy

Verified email at sissa.it - Homepage

Biophysics RNA computational physics free-energy calculations molecular dynamics


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Canonical sampling through velocity rescaling G Bussi, D Donadio, M Parrinello Journal of Chemical Physics 126, 014101, 2007	10594	2007
Well-tempered metadynamics: a smoothly converging and tunable free-energy method A Barducci, G Bussi, M Parrinello Physical review letters 100 (2), 020603, 2008	2073	2008
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	1901	2014
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	1387	2009
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	503	2006
Equilibrium free energies from nonequilibrium metadynamics G Bussi, A Laio, M Parrinello Physical review letters 96 (9), 090601, 2006	470	2006
Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration C Abrams, G Bussi Entropy 16 (1), 163-199, 2014	374	2014
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	348	2004
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	321	2019
Accurate sampling using Langevin dynamics G Bussi, M Parrinello Physical Review E 75 (5), 056707, 2007	321	2007
Isothermal-isobaric molecular dynamics using stochastic velocity rescaling G Bussi, T Zykova-Timan, M Parrinello The Journal of chemical physics 130 (7), 074101, 2009	300	2009
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	279	2018
Colored-noise thermostats à la carte M Ceriotti, G Bussi, M Parrinello Journal of Chemical Theory and Computation 6 (4), 1170-1180, 2010	251	2010
Nuclear quantum effects in solids using a colored-noise thermostat M Ceriotti, G Bussi, M Parrinello Physical review letters 103 (3), 030603, 2009	225	2009
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	204	2002
Metadynamics with adaptive Gaussians D Branduardi, G Bussi, M Parrinello Journal of chemical theory and computation 8 (7), 2247-2254, 2012	201	2012
Langevin equation with colored noise for constant-temperature molecular dynamics simulations M Ceriotti, G Bussi, M Parrinello Physical review letters 102 (2), 20601, 2009	195	2009
Hamiltonian replica exchange in GROMACS: a flexible implementation G Bussi Molecular Physics 112 (3-4), 379-384, 2014	188	2014
Using metadynamics to explore complex free-energy landscapes G Bussi, A Laio Nature Reviews Physics 2, 200–212, 2020	160	2020
Stochastic thermostats: comparison of local and global schemes G Bussi, M Parrinello Computer Physics Communications 179 (1-3), 26-29, 2008	136	2008

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