Courses:

Introduction to Modeling and Simulation >> Content Detail



Study Materials



Readings

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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


Amazon logo Allen, M. P., and D. J. Tildesley. Computer Simulation of Liquids. New York, NY: Oxford University Press, 1989. ISBN: 9780198556459.

Amazon logo Rapaport, D. C. The Art of Molecular Dynamics Simulation. 2nd ed. New York, NY: Cambridge University Press, 2004. ISBN: 9780521825689.

Amazon logo Frenkel, D., and B. Smit. Understanding Molecular Simulation. 2nd ed. Burlington, MA: Academic Press, 2001. ISBN: 9780122673511.

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)


 








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