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!



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.

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