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Accounts 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|August 20, 2005
A new molecular-dynamics based approach for molecular crystal structure searchV Buch, R Martonák, M ParrinelloThe Journal of Chemical Physics|January 11, 2007
Canonical sampling through velocity rescalingGiovanni Bussi, Davide Donadio, Michele ParrinelloThe Journal of Chemical Physics|April 26, 2005
Evolution of the structure of amorphous ice: from low-density amorphous through high-density amorphous to very high-density amorphous iceR Martonák, D Donadio, M ParrinelloProceedings of the National Academy of Sciences of the United States of America|April 5, 2013
Funnel metadynamics as accurate binding free-energy methodVittorio Limongelli, Massimiliano Bonomi, Michele ParrinelloThe Journal of Chemical Physics|April 17, 2015
Molecular dynamics simulations of solutions at constant chemical potentialC Perego, M Salvalaglio, M ParrinelloThe Journal of Physical Chemistry. B|October 6, 2007
Molecular dynamics study of the solvation of calcium carbonate in waterFabien Bruneval, Davide Donadio, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|November 6, 2023
Free energies at QM accuracy from force fields via multimap targeted estimationAndrea Rizzi, Paolo Carloni, Michele ParrinelloJournal of Chemical Theory and Computation|August 29, 2020
Tautomeric Equilibrium in Condensed PhasesEmanuele Grifoni, GiovanniMaria Piccini, Michele ParrinelloPageof 42,274