Molecular dynamics: Integrating Newton's equations

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Symmetries in Mechanics and Wave Equations

Explores symmetries in Newtonian mechanics and wave equations, highlighting their significance in understanding physical laws.

Classical Mechanics: Newton, Lagrange, Hamilton

Covers classical mechanics, including Newton's, Lagrange's, and Hamilton's formulations for calculating particle positions over time.

Newton's Laws: Harmonic Oscillator

Covers the application of Newton's laws to harmonic oscillators with damping.

Newton's Laws: Inertia and Motion

Covers Newton's first and second laws, inertia, force, momentum, and action-reaction principle in mechanics.

Path Integral Methods: Efficient Energy Estimators

Covers advanced path integral methods for deriving efficient energy estimators in molecular dynamics simulations.

Quantum to Classical Mechanics: MD & MC Simulations

Covers Molecular Dynamics and Monte Carlo Simulations, transitioning from Quantum to Classical Mechanics in computational chemistry.

Classical Mechanics and Molecular Dynamics

Covers classical mechanics, molecular dynamics, integrators, constant-temperature simulations, and melting point calculations for aluminum.

Quantum Mechanics: Harmonic Oscillator and Molecular Interactions

Discusses the harmonic oscillator in quantum mechanics and its implications for molecular interactions and energy levels.

Molecular Dynamics and Monte Carlo

Covers computational methods for molecular systems at finite temperature, emphasizing stochastic sampling and time evolution simulations.

Path Integral Methods: Advanced Momentum Estimators

Covers the derivation of path integral estimators for momentum-dependent operators and discusses improvements for statistical convergence in multi-particle systems.