Philippe A. Bopp
Modeling and Simulations: Course materials and references
Glossary of terms (work in progress)
Autocorrelation function
Data analysis
Coulomb or electrostatic potential
Ewald summation
Force field
Fourier transformation
Lennard-Jones potential
Molecular Dynamics (MD)
Newton's equation
Normal modes
Numerical integration
Periodic boundary conditions
Partial charges
Philosophy
Quantum chemistry
Simulation
Site
Statistics
Thermal Equilibrium
Time correlation function
Other resources on the WEB:
Potential Functions
(lecture notes by Eckhard Spohr, Ulm)
Modeling
(article by
Peter Krüger, Leuven, with references)
Computer Simulations
(course taught by
Boris Veytsman and
Michael J. Kotelyanskii, Penn State University)
A very good
Molecular Dynamics Primer
(course by
Furio Ercolessi
Università degli Studi di Udine
Links to animations / courses / problems ...
A list of
books
back to MCP
back to 4CHMCP520
back to pab's teaching page
updated 09/20/00 pab