Modeling and Simulation Group Meeting Old

Introduction to Molecular Dynamics

Speaker: Aleksandar Donev, Courant Institute

Location: Warren Weaver Hall 1302

Date: Thursday, February 9, 2023, 12:45 p.m.


I will introduce the mathematics and numerics behind molecular dynamics (lecture notes), a very popular tool in chemistry and materials science. If time permits, I will demo a mixed python-Fortran MD code.