Virial-based Berendsen barostat on GPUs using AMOEBA in Tinker-OpenMM
Author:
Funder
National Institutes of Health
Publisher
Elsevier BV
Subject
General Chemistry
Reference29 articles.
1. Molecular dynamics with coupling to an external bath;Berendsen;J. Chem. Phys.,1984
2. First-principles molecular dynamics simulations of MgSiO3 glass: structure, density, and elasticity at high pressure;Ghosh;Am. Mineral.,2014
3. Molecular dynamic simulation of layered graphene clusters formation from polyimides under extreme conditions;Dong;Carbon,2016
4. Dynamic transition in supercritical iron;Fomin;Sci. Rep.,2014
5. Molecular-dynamics study melting aluminum at high pressures;Gubin;Phys. Procedia,2015
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