Check out Yinan’s most recent paper in JPC C. It describes our study of silanol groups on the surface of silicon nanocrystals. We find that the conical intersections in such systems are high enough in energy not to quench visible light photoluminescence. This is the first time the we have used analysis of conical intersections to show from first principles that a surface is well passivated against non-radiative recombination.
Congratulations Wei-Tao!
Congratulations to Wei-Tao for passing his second year oral exam. Nice work!
Congratulations (almost) Dr. Meek!
Congratulations to Garrett, who successfully defended his dissertation yesterday. Garrett will continue his scientific career in the group of Prof. Charlie Brooks at the University of Michigan starting in September. Nice work, Garrett!
MWTCC 2017 website launched
We’ve launched the website for the 2017 Midwest Theoretical Chemistry Conference. Check it out regularly for updates regarding the scientific program, registration, abstract submission, and so on.
MWTCC dates set
The 2017 Midwest Theoretical Chemistry Conference will be June 1-3 in East Lansing, MI. See you there!
Congratulations (almost) Dr. Shu!
Congrats to Yinan for successfully defending his thesis today!
He’ll be moving to Minnesota to join the Truhlar group in mid-July.
MSU to host MWTCC 2017!
The Levine group had a great time at this year’s Midwest Theoretical Chemistry Conference. (Thanks, Pittsburgh!) Scott and Ben presented talks, while Wei-Tao and Garrett presented posters. This is always a wonderful event that highlights the exciting science being done by young theoretical and computational chemists in the region. As such, I’m excited to announce that MSU will host next years instance. I hope that we’ll see you in East Lansing in summer 2017!
Wave Function Continuity at Conical Intersections
Check out our most recent paper in JCP. It explores the conditions required for continuity of a molecular wave function expanded as a sum over vibronic states in the adiabatic representation. These conditions have very important implications for the simulation of nonadiabatic molecular dynamics.
Thanks to NSF for support!
Many thanks to the National Science Foundation for supporting our project on Accurate Nonadiabatic Dynamics at Conical Intersections in Nanomaterials (CHE-1565634)! This project is funded by the Chemical Models, Theory and Computational Methods program.
Thanks to NVidia for support!
Many thanks to NVidia for a generous donation of hardware!
Levine Research Group at Stony Brook University 
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