BUSSI, GIOVANNI
BUSSI, GIOVANNI
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
2012 Andrea Ferretti; Giuseppe Mallia; Layla MartinSamos; Giovanni Bussi; Alice Ruini; Barbara Montanari;Nicholas M. Harrison
Role of the Subunit Interactions in the Conformational Transitions in Adult Human Hemoglobin: An Explicit Solvent Molecular Dynamics Study
2012 Yusuff, Olaniyi K.; Babalola, Jonathan O.; Bussi, Giovanni; Raugei, Simone
Nonkinetic Modeling of the Mechanical Unfolding of Multimodular Proteins: Theory and Experiments
2011 Benedetti, F; Micheletti, C; Bussi, G; Sekatskii, S K; Dietler, G
SiO2 in density functional theory and beyond
2011 Martinsamos, L; Bussi, G; Ruini, A; Molinari, E; Caldas, M J
Unraveling effects of disorder on the electronic structure of SiO2 from first-principles
2010 L, Martinsamos; Bussi, G; Ruini, A; Molinari, E; J Caldas, M
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
2009 Massimiliano Bonomi ; Davide Branduardi ; Giovanni Bussi ; Carlo Camilloni ; Davide Provasi ; Paolo Raiteri ; Davide Donadio ; Fabrizio Marinelli ; Fabio Pietrucci ; Ricardo A. Broglia ,; Michele Parrinello
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
2008 Alessandro Barducci ,,; Giovanni Bussi ; Michele Parrinello
Accurate sampling using Langevin dynamics
2007 Giovanni Bussi; Michele Parrinello
Canonical sampling through velocity rescaling
2007 Bussi, Giovanni; Donadio, Davide; Parrinello, Michele
Equilibrium Free Energies from Nonequilibrium Metadynamics
2006 Giovanni Bussi; Alessandro Laio; Michele Parrinello
Free-Energy Landscape for beta Hairpin Folding from Combined Parallel Tempering and Metadynamics
2006 Giovanni Bussi; Francesco L. Gervasio; Alessandro Laio; Michele Parrinello
Relationship between structural and optoelectronic properties in semiconducting polymers
2004 Ferretti, Andrea ; RUINI, ALICE ; Bussi, Giovanni ; MOLINARI, ELISA ; Caldas, Marilia J.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes | 1-gen-2012 | Andrea Ferretti; Giuseppe Mallia; Layla MartinSamos; Giovanni Bussi; Alice Ruini; Barbara Montanari;Nicholas M. Harrison | |
| Role of the Subunit Interactions in the Conformational Transitions in Adult Human Hemoglobin: An Explicit Solvent Molecular Dynamics Study | 1-gen-2012 | Yusuff, Olaniyi K.; Babalola, Jonathan O.; Bussi, Giovanni; Raugei, Simone | |
| Nonkinetic Modeling of the Mechanical Unfolding of Multimodular Proteins: Theory and Experiments | 1-gen-2011 | Benedetti, F; Micheletti, C; Bussi, G; Sekatskii, S K; Dietler, G | |
| SiO2 in density functional theory and beyond | 1-gen-2011 | Martinsamos, L; Bussi, G; Ruini, A; Molinari, E; Caldas, M J | |
| Unraveling effects of disorder on the electronic structure of SiO2 from first-principles | 1-gen-2010 | L, Martinsamos; Bussi, G; Ruini, A; Molinari, E; J Caldas, M | |
| PLUMED: A portable plugin for free-energy calculations with molecular dynamics | 1-gen-2009 | Massimiliano Bonomi ; Davide Branduardi ; Giovanni Bussi ; Carlo Camilloni ; Davide Provasi ; Paolo Raiteri ; Davide Donadio ; Fabrizio Marinelli ; Fabio Pietrucci ; Ricardo A. Broglia ,; Michele Parrinello | |
| Well-tempered metadynamics: A smoothly converging and tunable free-energy method | 1-gen-2008 | Alessandro Barducci ,,; Giovanni Bussi ; Michele Parrinello | |
| Accurate sampling using Langevin dynamics | 1-gen-2007 | Giovanni Bussi; Michele Parrinello | |
| Canonical sampling through velocity rescaling | 1-gen-2007 | Bussi, Giovanni; Donadio, Davide; Parrinello, Michele | |
| Equilibrium Free Energies from Nonequilibrium Metadynamics | 1-gen-2006 | Giovanni Bussi; Alessandro Laio; Michele Parrinello | |
| Free-Energy Landscape for beta Hairpin Folding from Combined Parallel Tempering and Metadynamics | 1-gen-2006 | Giovanni Bussi; Francesco L. Gervasio; Alessandro Laio; Michele Parrinello | |
| Relationship between structural and optoelectronic properties in semiconducting polymers | 1-gen-2004 | Ferretti, Andrea ; RUINI, ALICE ; Bussi, Giovanni ; MOLINARI, ELISA ; Caldas, Marilia J. |