525270 Predicting Virial Coefficients and Alchemical Transformations By Extrapolating Mayer-Sampling Monte Carlo Simulations

Harold W. Hatch1, Sally Jiao2, Nathan A. Mahynski3, Marco A. Blanco4 and Vincent K. Shen3, (1)National Institute of Standards and Technology, Gaithersburg, MD, (2)Princeton University, Princeton, NJ, (3)Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD, (4)Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD
See more of this Session: Recent Advances in Molecular Simulation Methods I
See more of this Group/Topical: Computational Molecular Science and Engineering Forum