Showing results (81-90 of 272) with videos related to
Sort By:
Pageof 28
The Journal of Chemical Physics|August 24, 2018
Chemical potential calculations in non-homogeneous liquidsClaudio Perego, Omar Valsson, Michele ParrinelloChemical Science|March 1, 2024
Structure and polymerization of liquid sulfur across the λ-transitionManyi Yang, Enrico Trizio, Michele ParrinelloThe Journal of Chemical Physics|April 2, 2026
Ceci n'est pas un committor, yet it samples like one: Efficient sampling via approximated committor functionsEnrico Trizio, Giorgia Rossi, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|February 16, 2019
Microscopic description of acid-base equilibriumEmanuele Grifoni, GiovanniMaria Piccini, Michele ParrinelloJournal of Chemical Theory and Computation|February 20, 2019
Enhanced Sampling of Transition StatesJayashrita Debnath, Michele Invernizzi, Michele ParrinelloThe Journal of Physical Chemistry Letters|June 13, 2019
Exhaustive Search of Ligand Binding Pathways via Volume-Based MetadynamicsRiccardo Capelli, Paolo Carloni, Michele ParrinelloBiophysical Journal|May 6, 2010
Linking well-tempered metadynamics simulations with experimentsAlessandro Barducci, Massimiliano Bonomi, Michele ParrinelloAccounts of Chemical Research|June 19, 2002
The role and perspective of ab initio molecular dynamics in the study of biological systemsPaolo Carloni, Ursula Rothlisberger, Michele ParrinelloThe Journal of Chemical Physics|August 13, 2005
Nonperiodic boundary conditions for solvated systemsGabriele Petraglio, Matteo Ceccarelli, Michele ParrinelloThe Journal of Chemical Physics|January 11, 2007
Canonical sampling through velocity rescalingGiovanni Bussi, Davide Donadio, Michele ParrinelloPageof 28