(161h) Gomc: GPU Optimized Monte Carlo for the Simulation of Phase Equilibria and Physical Properties of Complex Fluids
- Conference: AIChE Annual Meeting
- Year: 2019
- Proceeding: 2019 AIChE Annual Meeting
- Group: Computational Molecular Science and Engineering Forum
Monday, November 11, 2019 - 2:15pm-2:30pm
In this work, we discuss recent updates to the GOMC, which include a multi-particle move, parallel tempering, and free energy methods (free energy perturbation and thermodynamic integration), as well as integration with tools for system setup (MoSDeF) and data management (Signac).
GOMC is available from GitHub (GOMC).