Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis

Junchao Xia, William F. Flynn, Emilio Gallicchio, Bin W. Zhang, Peng He, Zhiqiang Tan, Ronald M. Levy. Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis. Journal of Computational Chemistry, 36(23):1772-1785, 2015. [doi]

Abstract

Abstract is missing.