Lecture Notes
3_31_note.pdf
Description:
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.
Resource Type:
Lecture Notes
pdf
1 MB
3_31_note.pdf
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Spring
2005
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