527509 Transitioning from Empirical to Ab Initio Potentials for the Prediction of Thermodynamic Properties and Phase Equilibria

Richard J. Sadus, Centre for Molecular Simulation, Swinburne University of Technology, Hawthorn, Victoria 3122, Australia
See more of this Session: Thermophysical Properties and Phase Behavior
See more of this Group/Topical: Engineering Sciences and Fundamentals