LA-SiGMA Software Distribution
Nucleation Free Energy Simulation
Purpose
The Nucleation Free Energy Simulation package calculates the nucleation properties of an arbitrary chemical system. The package will compute standard thermodynamic quantities associated with vapor-liquid phase transitions.
Contents
This package contains the source code and sample data for Water, Ethanol, Lennard-Jonesium, and a Water-Ethanol binary systems.
Acknowledgments
The original code was developed by Bin Chen using methods originally designed by Collin Wick (Louisiana Tech) and Ilja Siepmann (University of Minnesota). The accelerated ports of this code were developed by Troy Loeffler and Ye Fang with assistance from Michal Brylinski, Zhifeng Yun, Mark Jarrell, and Juana Moreno.
Downloading and Installation
Distribution Package (9.185 MB)