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Langer, James. "Computing in Physics: Are We Taking It Too Seriously? Or Not Seriously Enough?" Physics Today (July 1999): 11-12.

Empirical Potentials

Daw, M. S., S. M. Foiles, and M. I. Baskes. "The embedded-atom method: a review of theory and applications." Materials Science Reports 9 (1993): 251-310.

Gibson, J. B., et al. "Dynamics of Radiation Damage." Physical Review 120, no. 4 (1960): 1229-1253.

References for Potential and Functional Models (PDF)

First Principles

Amazon logo Kohanoff, Jorge, and Nikitas Gidopoulos. "Density functional theory: basics, new trends and applications." Chapter 26 in Handbook of Molecular Physics and Quantum Chemistry. Edited by S. Wilson. Vol. 2, part 5. New York, NY: Wiley and Sons, 2003. ISBN: 9780471623748.

Payne, M. C., M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos. "Iterative minimization techniques for ab-initio total energy calculations: molecular dynamics and conjugate gradients." Review of Modern Physics 64, no. 1045 (1992): 1045-1097.

Finnis, M. "Interatomic Forces." Lecture notes presented at Isaac Newton Institute, Cambridge, UK, 6-10 September 1999.

Amazon logo Bransden, B., and C. Joachain. "Summary of Units." Appendix 11 in Physics of Atoms and Molecules. London, UK: Longman, 1982. ISBN: 9780582444010.

Molecular Dynamics

Ercolessi, Furio. "Molecular Dynamics Primer."