We’ve enjoyed a very fruitful collaboration with the Dantus group–world-leading experts in laser pulse shaping–for a number of years now. We are very grateful to the NSF for supporting our latest effort to develop strategies to control energy flow in large molecules in the condensed phase through a QLC-EAGER grant. Thanks NSF!
Recent paper on rank-reduced full CI
Better late than never: Check out Scott’s paper in JCTC on rank-reduced full CI. RR-FCI is an approximation to full CI that is scalable up to 30 electrons in 30 orbitals by representing the CI vector as a matrix of reduced rank. This work was a collaboration with the Martinez and Koch groups.
New paper on TD-CI
Check out Wei-Tao and Scott’s paper on our novel GPU-accelerated algorithm for time-dependent complete active space configuration interaction, published in JCTC. It’s fast, and speed aside, time-dependent configuration interaction has many advantages over RT-TDDFT. Nice work guys!
Welcome Adam!
Welcome to Adam Hartley! Adam is an undergraduate researcher visiting us from Erskine College. Adam will be working on modeling Auger recombination processes.
Congrats Dylan!
Congratulations to Dylan for passing his candidacy exam. Nice work, Dylan!
Congratulations, Derek!
Congratulations to Derek Metcalf, who will graduate with his B.S. in Chemical Engineering this week! Derek will be heading south to join the Chemistry Ph.D. program at Georgia Tech this summer. Derek has done great work on a number of project, and we’re looking forward to seeing more great things from him. Congratulations and good luck, Derek!
Thanks to DOE for support!
The Levine group is grateful to the Dept. of Energy Computational and Theoretical Chemistry program for funding our work to develop methods to accurately model electronic and electron-nuclear dynamics in nanomaterials!
Recombination Work Highlighted in TACC Podcast
Our work on non-radiative recombination was featured in the most recent Texas Advanced Computing Center (TACC) podcast and feature news article. Check them out here.
Many thanks to TACC for highlighting our work and for providing the excellent computing resources on which much of it is done!
Ben Joins JPC EAB
Ben is very pleased to joining the Journal of Physical Chemistry Editorial Advisory Board!
