Exploring the free energy surface using ab initio molecular dynamics
Author:
Affiliation:
1. Lawrence Livermore National Laboratory, Livermore, California 94550, USA
Funder
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4945653
Reference61 articles.
1. W. E, Principles of Multiscale Modeling (Cambridge University Press, 2011).
2. Optimization by Simulated Annealing
3. Replica Monte Carlo Simulation of Spin-Glasses
4. Temperature-accelerated dynamics for simulation of infrequent events
5. Crystal structure prediction usingab initioevolutionary techniques: Principles and applications
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