Louisiana State University

How to make Molecular Movies: An Introduction to Molecular Simulations

LSU Saturday Science at EBRPL - Goodwood

Molecular simulations have become an indispensable tool in modern scientific research ranging from materials science/engineering to biophysics and geological sciences. Specifically, molecular dynamics, wherein the motions of individual atoms of a system are modeled based on Newton’s equations of motion, allow one to directly probe the structure and dynamics at the molecular level. This leads to fundamental insight into complex phenomena that often cannot be directly probed. One can view these molecular dynamics simulations as virtual experiments and the movies that one can generate from them as a direct window into how molecules in the system of interest move and interact with each other.

LSU Chemistry Professor Revati Kumar will present a brief history of the field followed by a discussion of important concepts and applications using examples from the research in her group.

Saturday, November 4, 2023 at 1:00pm to 2:00pm

East Baton Rouge Parish Library, Teen Meeting Room 7711 Goodwood Blvd., Baton Rouge, LA 70806