Explores numerical integration algorithms, configurational space integrals, Maxwell-Boltzmann Distribution, and importance sampling in ensemble averages.
Covers the basics of molecular dynamics simulations, ensemble properties, classical mechanics formulations, numerical integration, energy conservation, and constraint algorithms.
Explores sampling the canonical ensemble, temperature fluctuations, extended Lagrangian, and Maxwell-Boltzmann distribution in molecular dynamics simulations.
Covers interpolatory quadrature formulas for approximating definite integrals using polynomials and discusses the uniqueness of solutions and practical applications in numerical integration.
