Open AccessAccelerated molecular dynamics through stochastic iterations and collective variable based basin identification
Author(s) -
Pratyush Tiwary,
Axel van de Walle
Publication year - 2013
Publication title -
physical review. b, condensed matter and materials physics
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.87.094304
Subject(s) - adiabatic process , statistical physics , thermalisation , variable (mathematics) , physics , molecular dynamics , transition state theory , monte carlo method , phase transition , quantum mechanics , mathematics , mathematical analysis , statistics , reaction rate constant , kinetics