Special Physical Chemistry Seminar: Marcos Dantus, Michigan State University

April 25, 2017 - 04:00 PM - 05:00 PM

Prof. Marcos Dantus

Michigan State University

Lynch Lecture Hall

A deep-learning approach to molecular dynamics


Deep learning—the combination of computer-controlled laser pulses and modern ab initio calculations running on GPU computers—will greatly accelerate our ability to probe and control chemistry. Just like chemical reagents are used for testing, chemically transforming, and sensing other compounds, photons could serve the same purpose. The key challenge is determining how to create ‘photonic reagents’ that have the desired selectivity. The Dantus Research Group has been developing computer-controlled laser pulses to probe and control laser-matter interactions. This talk will illustrate the power of deep learning as applied to chemical reactions of organic compounds proceeding through complex mechanisms involving a roaming H2 molecule. Results will also be presented on how computer-controlled pulses are being developed for improving medical diagnosis through spectroscopic biomedical imaging.

Department of Chemistry

231 S. 34 Street, Philadelphia, PA 19104-6323

215.898.8317 voice | 215.573.2112 fax | web@chem.upenn.edu