METHODS OF COMPUTATIONAL PHYSICS (Spring 2017)
Course Number: Phys 516
Class Number: 50614R
office: VHE 610; phone: (213) 821-2657; email: firstname.lastname@example.org
TA: Zhengzhi Ma; email: email@example.com
Lecture: 9:00-9:50 M W F, KAP 138
Office Hour: 16:00-16:50 F
"An Introduction to Computational Physics, 2nd Ed." (Cambridge Univ. Press, 2010)
--sample C, Fortran 77, and Fortran 90 programs available on line.
W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling,
"Numerical Recipes, 3rd Ed." (Cambridge Univ. Press, 2007)--available online
Fortran 77, and
Prerequisites: Basic knowledge of calculus and undergraduate physics;
familiarity with a programming language such as C or Fortran --
A nice introduction to computing: (1) Y. Patt and S. Patel,
Introduction to Computing Systems: From Bits and Gates to C and beyond,
(2) T. Hey and G. Papay,
The Computing Universe;
Software skills for computational physicists: A. Scopatz and K. D. Huff,
Effective Computation in Physics.
Students will learn basic elements of computational methods and acquire hands-on
experience in their practical use in the context of computer simulations to solve
Molecular dynamics simulation of the oxidation of an aluminum nanoparticle.
- 1/9 (M): Class begins.
- 1/13 (F):
High performance computing (HPC) workshop on Linux at 2:30-4:30 pm in VPD 106;
- 1/16 (M): Martin Luther King Jr. Day: no class.
- 1/18 (W): A take-home quiz (= warmup assignment 1) is distributed,
along with associated handouts, at the class; please make sure to attend the class.
- 1/20 (F): Assignment 1 due.
- 1/20 (F): HPC workshop on computing at 2:30-4:30 pm in VPD 106;
- 1/23 (M): HPC accounts are ready; please use directory /home/rcf-proj/an4/your_ID.
- 1/27 (F): Discussion session for assignment 2 at 4:00 pm in VHE 610.
- 1/30 (M):
Aurora supercomputer early science projects announced by U.S. Department of Energy's
Argonne Leadership Computing Facility (ALCF).
- 2/3 (F): Discussion session for assignment 3 at 4:00 pm in VHE 610.
- 2/9 (Th): Seminar on
Rational computation-guided design of polymer dielectrics
by Prof. Rampi Ramprasad (Univ. of Connecticut) at 12:45 pm in ZHS 159.
- 2/17 (F): Discussion session for assignment 4 at 4:00 pm in VHE 610.
- 2/20 (M): Presidents Day: no class.
- 3/1 (W): Special lecture on "visual simulations on laptops and cellular phones"
by Anders Hafreager (Univ. of Oslo, Norway); download Anders'
Atomify LAMMPS app.
- 3/3 (F): Discussion session for assignment 5 at 4:00 pm in VHE 610.
- 3/9 (Th): Seminar on
Capacities for quantum communication channels
by Prof. Peter Shor (MIT) at 4 pm in EEB 132 (reception at 3 pm in the EE Courtyard).
- 3/20 (M): Discussion session for assignment 6 at 4:00 pm in VHE 610.
- 4/3 (M): Special demo of "running molecular dynamics and Monte Carlo simulations in virtual reality (VR)"
by Brandon Horton and Aravind Krishnamoorthy.
- 4/10 (M): Discussion session for assignment 7 at 4:00 pm in VHE 610.
- 4/11 (T): Follow-up discussion session for assignment 7 at 5:30 pm in VHE 610.
- 4/12 (W): Final-project brainstorming in the class.
- 4/26 (W) and 4/28 (F): Final-project presentations.
- 5/10 (W): Final-project report due.