A quantitative study on the approximation error and speed-up of the multi-scale MCMC (Monte Carlo Markov chain) method for molecular dynamics
Jie Liu, Qinglin Tang, Jisheng Kou, Dingguo Xu, Tao Zhang, Shuyu Sun
Topics & Concepts
Molecular dynamicsStatistical physicsMarkov chain Monte CarloMonte Carlo methodComputer scienceScale (ratio)Robustness (evolution)Markov chainHybrid Monte CarloAlgorithmMathematicsPhysicsChemistryComputational chemistryStatisticsBiochemistryMachine learningGeneQuantum mechanicsAdvanced Chemical Physics StudiesMachine Learning in Materials ScienceProtein Structure and Dynamics