Welcome Caitlin!

We are very excited to welcome our first SBU grad student: Caitlin Hetherington! Caitlin joins us from Heriot-Watt University, where she earned her master’s degree in Chemistry with German. Welcome aboard, Caitlin!

Congratulations Almost-Dr. Esch!

Congratulations to Mike Esch, who successfully defended this Ph.D. dissertation this week! Mike has done excellent work on a number of topics, including lead halide perovskites, cyanine dyes, conical intersection “locality,” and nonadiabatic molecular dynamics methods for dense manifolds of electronic states. Lucky for us, Mike will be staying on as a postdoc in our group!

PySpawn

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.

Congratulations, Derek Metcalf!

Congratulations to Derek Metcalf, former undergraduate researcher in our group, for earning a National Science Foundation Graduate Research Fellowship!  After graduating MSU in 2018, Derek joined the Ph.D. program at Georgia Tech, where he now working in the group of David Sherrill.  Keep up the good work, Derek!

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