Phase Equilibria of Solid and Fluid Phases from Molecular Dynamics Simulations with Equilibrium and Nonequilibrium Free Energy Methods
Author:
Affiliation:
1. Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, D-70569 Stuttgart, Germany,
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01023
Reference61 articles.
1. Monte Carlo methods for phase equilibria of fluids
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5. Coexistence diagrams of mixtures by molecular simulation
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