A unified approach to computation of solid and liquid free energy to revisit the solid-fluid equilibrium of Lennard-Jones chains
Author:
Affiliation:
1. Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom
Funder
Engineering and Physical Sciences Research Council (EPSRC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4914318
Reference46 articles.
1. Molecular Dynamics Simulations
2. New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
3. Free energy of hydrophobic hydration: A molecular dynamics study of noble gases in water
4. Excess free energy of liquids from molecular dynamics simulations. Application to water models
5. Separation‐shifted scaling, a new scaling method for Lennard‐Jones interactions in thermodynamic integration
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