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!
Special Issue of IJQC on Excited States of Complex Systems
A special issue of the International Journal of Quantum Chemistry on the Excited States of Complex Systems, co-edited by Ben and Prof. Sergey Varganov of University of Nevada at Reno, has been published. Check it out!
Updated: New Inorganic Emitters for Phosphorescent LEDs on Frontispiece of Advanced Materials
Richard Lunt’s group in the MSU Dept. of Chemical Engineering has developed a new class of LEDs based on hexanuclear metal halide clusters. These clusters exhibit a broad emission spectrum which we attribute to an unusually strong Jahn-Teller distortion in the excited state which arises from the existence of both global (whole cluster) and local (immediate neighborhood of each metal atom) symmetry in the clusters. Check it out.
Update: This work is on the frontispiece of Advanced Materials!
New Paper on the Effect of Surface Structure on Silicon Nanoparticle Photoluminescence Yield
Check out our new paper in JPC C, which describes our collaborative effort with the groups of Rebecca Anthony and Uwe Kortshagen to diagnose the structural features limiting the photoluminescence yields of silicon nanocrystals.
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