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.
Perhaps this announcement is a little late, but our group will be moving to Stony Brook University in August! We’ll be associated with the Department of Chemistry and Institute for Advanced Computational Sciences there. Our friends and colleagues at MSU will be dearly missed, but we are very excited about the new opportunities that SBU presents.
Many thanks to the National Science Foundation Chemical Theory, Modelling, and Computation (CTMC) program for funding our project to develop theoretical methods for modeling the dynamics of molecules in strong laser fields!
Check out Mike’s new paper in JCP. It demonstrates the need for special care when decoherence corrections are applied to systems with more than two electronic states. This is an essential step toward our goal of performing accurate nonadiabatic molecular dynamics simulations in dense manifolds of electronic states.
Congratulations to Levine group members Dylan and Katy for earning their masters degrees!
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!
It’s nice to be able to share some good news.
Yinan Shu was named a 2020 PHYS Division Young Investigators by the ACS PHYS division:
Yinan was one of the first Levine group members, joining in 2011 and earning his PhD in 2016. During his time here he lead a number of projects, ranging from semiconductor photophysics to electronic structure method development to the automated design of light emitting molecules. He is currently a postdoc in the group of Don Truhlar at University of Minnesota.
Nice work, Yinan, and very well deserved!
Last week we bid farewell to Dmitry Fedorov, who is moving on to a postdoctoral position in the Alexeev group at Argonne National Lab and at General Atomics. While with us, Dmitry completed a number of very challenging projects in nonadiabatic molecular dynamics method development. We are sad to see him go, but we look forward to seeing the great things he will do in the future!
After spending two previous summers in our group, Adam Hartley has officially joined as a Ph.D. student. Welcome, Adam!
Congratulations to Wei-Tao for successfully defending his dissertation today! Wei-Tao has done excellent work on several projects (silicon defect photophysics, cyanine photochemistry, and time-dependent electronic structure method development). In a couple of months Wei-Tao will join the group of Jochen Blumberger at University College London as a postdoc. We can’t wait to see the great things he will do there and beyond!