Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics – Monte Carlo Canonical Propagation Algorithm
Chen, Yunjie, Kale, Seyit, Weare, Jonathan, Dinner, Aaron R., Roux, BenoîtLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00706
Date:
March, 2016
File:
PDF, 1.77 MB
english, 2016