Comparison of absolute free energy calculation methods for fluids and solids
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1005704
Reference25 articles.
1. New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
2. Revisiting the Frenkel-Ladd method to compute the free energy of solids: The Einstein molecule approach
3. Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method
4. Freezing by Monte Carlo Phase Switch
5. Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation
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