PH4395 Computer Simulation in Physics ... (1-0-4) s ... 3 Cr
Course Description:
Role of computer simulation in physics with emphasis
on methodologies, data and error analysis, approximations, and
potential pitfalls. Methodologies
may include Monte Carlo simulation, molecular dynamics,
and first-principles calculations for materials, astrophysics simulation, and
biophysics simulations.
Prerequisites: PH3300 or PH5310;
PH4390 ; and
PH2400
or PH3410; or permission of instructor.
Computer Fee: $100
Text (Spring, 2006):
- Molecular Modeling, Principles & Applications, 2 nd Ed., Andrew Leach
(ISBN 0582382106)
Previous Text:
- Numerical Recipes in Fortran, 2 nd Ed., Press et al.
(ISBN 0-521-43064-X)
Typical Text:
- Computer Simulation of Liquids, M.P.Allen & D.J.Tildesley,
(ISBN 0-19-855645-4)
References:
- Thermal and Statistical Physics Simulations (CUPS) H. Gould, L. Spornick, & J. Tobochnik (1995).
- Understanding Molecular Simulation: From Algorithms to Applications. D. Frenkel adn B. Smit (1996)
- Computer Simulation Methods in Theoretical Physics D.W. Heermann (1990).
- Monte Carlo Methods in Statistical Physics K. Binder, ed.
- Hartree-Fock ab initio Treatment of Crystalline Systems,
C. Pisani and R. Dovesi and C. Roetti,
1988, Springer-Verlag.
- Electronic structure and optical properties of semiconductors,
M. Cohen and J. R. Chelikowsky,
1988, Springer-Verlag.
Typical Syllabus (Approximate number of weeks)
- Simple Monte Carlo simulation (2)
- Data analysis (Statistical Mechanics) (3)
- Error analysis (averages, fluctuations, correlations, autocorrelations, confidence) (2)
- Simple molecular dynamics simulation (2)
- Assessing the quality of published simulation work (2)
- Advanced Applications:(one of the following, may be team taught)(4)
- Advanced molecular dynamics
- Kinetic simulations
- First-Principles methods- electronic properties
- Astrophysics simulations
- Biophysics modeling
Labs and Projects
This course will be graded on prepared laboratories (in classical simulation,
quantum simulation, and statistical analysis) and the following
projects:
- Monte Carlo Simulation (write your own simple code)
- Molecular Dynamics Simulation (use a research code)
- Reviews of published simulation work (written and oral)
Course Rationale:
Computational research is an integral part of solid state physics
and materials science research. Students are equipped to understand
fundamentals, strengths and weakenesses of materials physics computation.
Students are also trained to be able read published work critically.
Course is geared for advanced undergraduates and graduate students in
physics, astrophysics, biophysics, materials science, geology, chemical engineering, mechanical
engineering, electrical engineering, and related fields.
Last Modified: Thursday, 22-Dec-2005 13:49:13 EST