Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration
Author:
Affiliation:
1. NYU-ECNU, Center for Computational Chemistry at NYU, Shanghai, Shanghai 200062, China
Funder
U.S. Department of Energy
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00072
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