The swap Monte Carlo algorithm introduces nonphysical dynamic rules to accelerate the exploration of the configuration space ...
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China Center of Materials and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049 ...
Department of Chemistry, Rice University, Houston, Texas 77005, United States Laboratory for Nanophotonics, Rice University, Houston, Texas 77005, United States ...
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