Estimating Error in Diffusion Coefficients Derived from Molecular Dynamics Simulations
Author:
Affiliation:
1. Department of Chemical and Biological Engineering, Iowa State University, Ames, Iowa 50011, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00574
Reference22 articles.
1. Time-Dependent Properties of Liquid Water: A Comparison of Car−Parrinello and Born−Oppenheimer Molecular Dynamics Simulations
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5. Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations
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