Please join Yale Chemistry for a theory chemistry seminar with Prof. Michael L. Klein, Laura H. Carnell Professor of Science, Director of the Institute for Computational Molecular Science, and Director of the Temple Materials Institute, from Temple University.
Title: TBA
The Klein Group applies principles from quantum mechanics and statistical thermodynamics to model molecular phenomena with computer simulations. They use or adapt existing software to perform ab initio electronic structure calculations, all-atom and coarse grained classical molecular dynamics and Car-Parrinello and Born-Oppenheimer ab initio molecular dynamics simulations. They also develop new techniques and program code for new hardware like GPGPUs and multi-core CPUs and specific complex problems, for example to enhance sampling of rare events, and develop parameters for realistic coarse grain modeling of meso-scale biophysical applications. Simulations help interpret experimental results and gain understanding from a microscopic perspective; therefore they also collaborate with researchers from several multi-disciplinary research efforts. More information on Prof. Klein’s research can be found here: Michael L. Klein | Temple University College of Science and Technology
Hosted by: Prof. Bill Jorgensen
Sponsored by the Mrs. Hepsa Ely Silliman Memorial Fund.
Location: Sterling Chemistry Lab (SCL), Room 160