An efficient approach toab initioMonte Carlo simulation
Author:
Funder
DOE
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4855755
Reference52 articles.
1. Ab Initio Molecular Dynamics
2. Monte Carlo simulation of equilibrium chemical composition of molecular fluid mixtures in the NatomsPT ensemble
3. Reactive Canonical Monte Carlo
4. Monte Carlo methods for phase equilibria of fluids
5. Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids
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