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!
Welcome, Fangchun!
Welcome to our newest group member: Fangchun Liang! Fangchun is a first-year graduate student joining us from Peking University.
Glad to have you aboard, Fangchun!
Welcome, Andy!
Welcome to the newest group member: Andrew Durden. Andy is a first year graduate student, joining us from Eastern Michigan University. He spent last summer in our lab studying electronic excitations in metal clusters, and we’re very glad he decided to make it official. Welcome, Andy!
Recombination Dynamics of Defective SiNCs in RSC Chem. Sci.
Check out Wei-Tao’s new paper in Chem. Sci. It describes an ab initio molecular dynamics (AIMD) study of non-radiative recombination in silicon nanoparticles (up to 1.7 nm) with dangling bond defects on their surfaces. These mark the first AIMD studies of semiconductor nanomaterials carried out using a multireference description of the electronic structure capable of accurately modeling the PES in the neighborhood of conical intersections involving the electronic ground state.
Also, congrats to Wei-Tao on his first first-author paper in the Levine group!
ACTC Highlight in JPC
Ben’s talk at July’s American Conference on Theoretical Chemistry has described in a highlight article in JPC. Many thanks to Zach Goldsmith of the Hammes-Schiffer group at UIUC for writing the highlight!
Thanks to AFOSR!
Many thanks to the Molecular Dynamics and Theoretical Chemistry program at AFOSR for supporting our work modeling the dynamics of chemical reaction at energies near the ionization potential!
CISNO Gradients in JCP
Check out our recent paper with Ed Hohenstein reporting analytic gradients for the CISNO-CASCI method. CISNO is an efficient, well-behaved, and size-intensive alternative to SA-CASSCF for modeling nonadiabatic dynamics near conical intersections.
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