Physics 5403 - Computational Physics: Molecular Dynamics

Reference material

Lecture notes (Powerpoint)

Lecture notes (Adobe PDF)

Our chapter on molecular dynamics is partially based on the MD Primer by Furio Ercolessi

Videos

Section	Title
6.0	Overview
	Classical MD vs. ab-initio MD
6.1	Basic machinery
6.2	Verlet algorithm
6.3	Geometry and boundary conditions
6.4	Starting and controlling the simulation
6.5	Observables I
	Observables II
6.6	Correlations in real and momentum space
6.7	MD as an optmization tool