Automated Construction of Ab Initio Potential Energy Surfaces for Spectroscopy and Dynamics: Chemistry seminar

Lecture/Seminar - Natural Sciences | February 22 | 3-4 p.m. | Classroom Building, COB 267

Location:  5200 North Lake Rd, Merced, CA 95343

Speaker: Richard Dawes, Assistant Professor of chemistry, Missouri University of Science and Technology

Sponsor: Physics-Chemistry

Join Richard Dawes, a professor at Missouri University of Science and Technology, as he discusses "Automated Construction of Ab Initio Potential Energy Surfaces for Spectroscopy and Dynamics."

A molecular potential energy surface (PES) describes the energy of a chemical system as a function of its geometry and is an essential ingredient for many applications of computational chemistry including spectroscopy and dynamics. Part of this talk describes the development of a PES generator (software code) that uses parallel processing to construct PESs automatically.

Event Contact: Professor Jason Hein, Assistant Professor of Chemistry, jhein2@ucmerced.edu, 209-228-7920