Equilibration and analysis of first-principles molecular dynamics simulations of water
Author:
Affiliation:
1. Department of Computer Science, University of California, Davis, Davis, California 95616, USA
Funder
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5018116
Reference58 articles.
1. Molecular Dynamics Study of Liquid Water
2. Improved simulation of liquid water by molecular dynamics
3. Revised central force potentials for water
4. Comparison of simple potential functions for simulating liquid water
5. The missing term in effective pair potentials
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