National University of Singapore, Science Faculty, Computational Sci Dept

CZ3272 Monte Carlo and Molecular Dynamics (Elective, 3 MC)

Prerequisites: CZ3105 and PC2230 or CM3231(can be co requisite)
Introduction to Markov chain Monte Carlo, Monte Carlo numerical integration, Metropolis algorithm, cluster algorithms, and integrators in molecular dynamics. Topics to be considered include simulation of phase transitions in physical systems, the structure of liquids and solids (from molecular dynamics simulations), and computation of physical quantities (total energy, pressure, equation of state, etc).

Dr. Chen Yu Zong
Department of Computational Science
National University of Singapore
Office: Blk S17 Room 07-24
Tel: 6874-6877. Fax: 6774-6756
(Lots of info about biocomputing)


  • Lectures:
    • S17-07-41. Thur 800-1000
  • Labs:
    • Y3 Lab. Fri 900-1000
  • Tutorials:
    • S17-07-41. Fri 900-1000
  • Grade:
    • Final exam 40%,
    • Mid-term exam 30%,
    • Lab 30%
  • Exams:
    • Two mid-terms
    • One final exam

Module Outline

Lab Schedule


Recommended Text:

  • Lecture Notes of Computational Techniques in Theoretical Physics. By Wang JianShen, Chen Kan and Zhang Fei.
  • The following files are downloable Postscript-version of the text.


  1. Introduction to Percolation Theory. 2nd Ed., D. Stauffer and A. Aharony,. Taylor & Francis, 1992.
  2. Monte Carlo Simulation in Statistical Physics - An Introduction. K. Binder and D. W. Heermann, Springer-Verlag, 1988.
  3. Computer Simulation Methods in Theoretical Physics.  2nd Ed., D. W. Heermann, Springer-Verlag, 1990.
  4. Parallel Algorithms in Computational Science, D. W. Heermann and A. N. Burkit, Springer-Verlag, 1991.

  5. Computational Physics. Nicholas J. Giordano. Prentice Hall, 1997.

Links to similar courses:

Homework assignments
Solutions to tutorial
Solutions to Lab

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Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543