Broad DFT review
Kohanoff, and Gidopoulos
Lecture 3b readings
Gentle online primers on Quantum Mechanics (
PDF)
Lecture 3b readings
Ab-initio methods, theory (
PDF)
Lecture 6 readings
Overview of density-functional theory, pp. 1-37 (
PDF - 1.6MB)
Overview of density-functional theory, pp. 38-85 (PDF - 1.7MB)
Lecture 6 readings
Ab-initio methods, practice (PDF -1.4 MB)
Lecture 6 readings
Payne-Joannopoulos review (Chapter II)
Lecture 6 readings
Kohn's Nobel lecture
Lecture 8
Interatomic potentials from DFT
Lecture 10
Ercolessi, Furio. "Molecular dynamics primer."
Lecture 12
Marx, and Hutter review. "Ab-initio Molecular Dynamics."
Empirical Potentials readings - Allen and Tildesley, pp. 1-26.