Check out our most recent paper in JCTC, describing out new implementation of multiple spawning dynamics: PySpawn. PySpawn is an implementation of ab initio multiple spawning (AIMS) in Python 2.7. It is designed to take advantage of modern computational resources and to be easily linked to electronic structure packages carry out ab initio multiple spawning (AIMS) calculations. It is free and open source, and can be downloaded here.

Blog at

Up ↑