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Readings

This section contains documents created from scanned original files, which are inaccessible to screen reader software. A "#" symbol is used to denote such documents.

There is no required textbook for the course. This page presents a selection of background and reference readings for some topics covered in class.

Monte Carlo Simulation

Metropolis, N., A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller. "Equation of State Calculations by Fast Computing Machines." Journal of Chemical Physics 21, no. 6 (June 1953): 1087-1092. (PDF)# (The original paper on the Metropolis algorithm.)

Notes by Prof. Yip

Monte Carlo in Statistical Physics and Radiation Transport (PDF)

Molecular Dynamics

Reference Books

Allen, M. P., and D. J. Tildesley. Computer Simulation of Liquids. New York, NY: Oxford University Press, 1989. ISBN: 0198556454.

Rapaport, D. C. The Art of Molecular Dynamics Simulation. 2nd ed. New York, NY: Cambridge University Press, 1996. ISBN: 0521825687.

Frenkel, D., and B. Smit. Understanding Molecular Simulation. 2nd ed. San Diego, CA: Elsevier, 2001. ISBN: 0122673514.

Cleri, F., S. Yip, D. Wolf, and S. R. Phillpot. "Atomic-Scale Mechanics of Crack-Tip Plasticity: Dislocation Nucleation and Crack-Tip Shielding." Physical Review Letters 79, no. 7 (August 18, 1997): 1309-1312.

Notes by Prof. Yip

Property Calculations by Molecular Dynamics (PDF)

Direct Simulation of Melting (PDF)