Embedded-Atom Method: Impurities and Defects in Metals
Daw and Baskes's foundational 1984 paper introducing the Embedded-Atom Method (EAM), a many-body potential for metal …
Molecular Dynamics
Notes on MD simulation methods, interatomic potentials, and enhanced sampling techniques. Covers classical MD, Langevin dynamics, and free energy methods.
Umbrella Sampling: Monte Carlo Free-Energy Estimation
Torrie and Valleau's 1977 paper introducing Umbrella Sampling, an importance sampling technique for Monte Carlo …