Lecture Notes

3_31_note.pdf

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This file is an annotated version of class notes “First-Principles Molecular Dynamics” and explains micro-to macro-: diffusion coefficient, mean square displacements, velocity autocorrelation function, Green-Kubo relations, Hamiltonian dynamics, Hellmann-Feynman theorem, Born-Oppenheimer molecular dynamics, and equations and constant of motion.

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Lecture Notes

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