Simulation of a free energy upper bound, based on the anticorrelation between an approximate free energy functional and its fluctuation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.480050
Reference29 articles.
1. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
2. Free energy calculations: a breakthrough for modeling organic chemistry in solution
3. Advances and Continuing Challenges in Achieving Realistic and Predictive Simulations of the Properties of Organic and Biological Molecules
4. Equation of State Calculations by Fast Computing Machines
5. Phase Transition for a Hard Sphere System
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