Ring Polymer Molecular Dynamics

Molecular dynamics under constraints

Explores molecular dynamics simulations under holonomic constraints, focusing on numerical integration and algorithm formulation.

Quantum Theory: Canonical Approach

Covers the canonical approach to quantum theory, focusing on Lagrangian mechanics and equations of motion.

Quantum to Classical Mechanics: Fundamentals

Covers the transition from quantum to classical mechanics, statistical mechanics, Monte Carlo simulations, and molecular dynamics simulations.

Heterogeneous Catalysis: Basics and Kinetics

Covers the basics of heterogeneous catalysis and the importance of transition state theory in predicting reaction rates.

Water Quality Modeling: Kinetics in PHREEQC

Covers the modeling of kinetics in water quality using PHREEQC software, emphasizing the comparison of reaction time scales and the syntax of KINETICS and RATES keywords.