Computational Methods in Biology and Materials

Instructors: Prof. Teresa Head-Gordon

Location: TuTh 2-330P, 9 EVANS

Units: 4

 

Prerequisites: Math 53 and 54. Graduate students must be able or willing to learn to program in a scientific computing language (C, C++, Fortran) or Java.

 

 

Course Description: An introduction to particle simulation methods and algorithms, including molecular dynamics and Monte Carlo, mathematical optimization, coarse-graining, and "non-algorithmic" computation such as neural networks. Various “case studies” in applying these methods in the areas of protein folding and other self-assembled materials will be covered. A team competition in methods development and prediction on lattice proteins and atomic clusters serves as the final exam, and will utilize high performance computing facilities at NERSC.