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Edoardo Giovannelli

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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|November 14, 2015
Simulations in generalized ensembles through noninstantaneous switchesEdoardo Giovannelli, Gianni Cardini, Riccardo Chelli
Journal of Chemical Theory and Computation|January 16, 2016
Elastic Barrier Dynamical Freezing in Free Energy Calculations: A Way To Speed Up Nonequilibrium Molecular Dynamics Simulations by Orders of MagnitudeEdoardo Giovannelli, Gianni Cardini, Riccardo Chelli
The Journal of Chemical Physics|June 14, 2013
Path-breaking schemes for nonequilibrium free energy calculationsRiccardo Chelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics|February 23, 2015
Annealed importance sampling with constant cooling rateEdoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Computing Free Energy Differences of Configurational BasinsEdoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Nonequilibrium Candidate Monte Carlo Simulations with Configurational Freezing SchemesEdoardo Giovannelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics|February 18, 2014
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculationsEdoardo Giovannelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Convective Replica-Exchange in Ergodic RegimesGiorgio F Signorini, Edoardo Giovannelli, Yannick G Spill, et al.
Journal of Chemical Theory and Computation|October 11, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical FrameworkEdoardo Giovannelli, Piero Procacci, Gianni Cardini, et al.
Journal of Chemical Theory and Computation|November 8, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical ValidationEdoardo Giovannelli, Matteo Cioni, Piero Procacci, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|November 14, 2015
Simulations in generalized ensembles through noninstantaneous switchesEdoardo Giovannelli, Gianni Cardini, Riccardo Chelli
Journal of Chemical Theory and Computation|January 16, 2016
Elastic Barrier Dynamical Freezing in Free Energy Calculations: A Way To Speed Up Nonequilibrium Molecular Dynamics Simulations by Orders of MagnitudeEdoardo Giovannelli, Gianni Cardini, Riccardo Chelli
The Journal of Chemical Physics|June 14, 2013
Path-breaking schemes for nonequilibrium free energy calculationsRiccardo Chelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics|February 23, 2015
Annealed importance sampling with constant cooling rateEdoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Computing Free Energy Differences of Configurational BasinsEdoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Nonequilibrium Candidate Monte Carlo Simulations with Configurational Freezing SchemesEdoardo Giovannelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics|February 18, 2014
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculationsEdoardo Giovannelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Convective Replica-Exchange in Ergodic RegimesGiorgio F Signorini, Edoardo Giovannelli, Yannick G Spill, et al.
Journal of Chemical Theory and Computation|October 11, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical FrameworkEdoardo Giovannelli, Piero Procacci, Gianni Cardini, et al.
Journal of Chemical Theory and Computation|November 8, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical ValidationEdoardo Giovannelli, Matteo Cioni, Piero Procacci, et al.
Pageof 2