Lecture Notes



This file is an annotated version of class notes “First-Principles Molecular Dynamics” and explains micro-to macro-: diffusion coefficient, mean square displacements, velocity autocorrelation function, Green-Kubo relations, Hamiltonian dynamics, Hellmann-Feynman theorem, Born-Oppenheimer molecular dynamics, and equations and constant of motion.

Resource Type:
Lecture Notes

Course Info

As Taught In
Spring 2005
Learning Resource Types
Lecture Videos
Lecture Notes
Problem Sets with Solutions