Check out Scott’s newest paper in JCP. In this collaborative effort with the Martinez group, we report the implementation of the CP-CASSCF equations for GPU hardware.
Thanks to JPC and the ACS PHYS division for the JPC-PHYS Lectureship
Ben is honored and grateful that the Journal of Physical Chemistry and the ACS PHYS division have awarded him the JPC A Lectureship! Ben will deliver his lecture at the Fall ACS National Meeting in Washington D.C. in August. Hope to see you there!
Welcome Dylan and Derek!
Welcome to first year graduate student Dylan Hardwick, who has just joined our group!
Also a belated welcome to undergraduate student Derek Metcalf, who has been working with us since the beginning of the semester on developing protocols to model the ligand donor ability in late transition metal compounds!
New Paper on Dynamics Near Conical Intersections
Check out Garrett’s new paper in JCP. It describes diabatized Gaussians on adiabatic surfaces (DGAS), an approach to modeling nonadiabatic dynamics that walks a fine line between the adiabatic and diabatic representations, maintaining the primary advantages of both representations while avoiding their respective pitfalls.
Thanks to the ACS COMP division!
Ben is both honored and grateful that the ACS COMP division is awarding him the Spring 2017 OpenEye Outstanding Junior Faculty Award in Computational Chemistry. This award will support Ben’s travel to the spring 2017 national meeting of the ACS in San Francisco to present a poster titled “Multireference Quantum Chemistry and Conical Intersections at the Nanoscale.” See you there!
New Paper on Silicon Surface in JPC C
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!
Levine Research Group at Stony Brook University 
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