Quantum to Classical Mechanics: MD & MC Simulations

Related lectures (29)

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Explores the integration of quantum mechanics and molecular mechanics in computational chemistry using CP2K software.

Delves into quantum mechanics, focusing on probability in potential wells and comparing classical and quantum predictions.

Introduces mechanics, differential and vector calculus, and historical perspectives from Aristotle to Newton.

Explores the wave function, Schrödinger equation, classical-quantum mechanics relationship, and eigenvalue problem in quantum physics.

Explores energy transfer by waves, including photons, electrons, and phonons, discussing interfaces, evanescent waves, and tunneling.

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

Discusses eigenfunctions of Hermitian operators in quantum chemistry and the quantization of energy levels.

Covers the basics of computational quantum chemistry, including the Schrödinger equation and quantum chemical methods.

Covers path integral methods, focusing on convergence and computational techniques for quantum systems.