Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.
Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.
Explores phonon frequencies, heat capacity, thermal properties, vibrations in solids, free electron gas, Fermi function, and density functional theory.