American Institute of Physics Downloaded / University of Thessaly / American Institute of Physics / /
IndustryTerm
gas state / performance computing / free energy calculations / neighborhood search / stochastic optimization algorithms / software implementation / free energy / individual chain / computational tool / solution algorithms / stochastic simulation algorithms / atomistic simulation protocol / permeation free energy / atomistic systems / performance computing framework / molecular systems / energy / /
OperatingSystem
Petros / /
Organization
American Institute of Physics Downloaded / American Institute of Physics / Switzerland Department of Mechanical Engineering / University of Thessaly / U.S. Securities and Exchange Commission / /
Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework Panagiotis Angelikopoulos, Costas Papadimitriou, and Petros Koumoutsakos Citation: J. Chem. Ph