All details, homework, and lectures for Molecular Simulation class can be found in this Github repo.
Wednesdays 9:30 am - 11:30 am
Room: MolES 115
| Week # | Date | Topic | Instructor |
|---|---|---|---|
| Week #1 | Jan 8th | Introduction to Simulations | Prof. Valleau |
| Week #2 | Jan 15th | Bash, Python, Github | Sarah |
| Week #3 | Jan 22nd | Electronic Structure/Quantum Calculations | Prof. Valleau |
| Week #4 | Jan 29th | Forcefields/Classical MD | Chris |
| Week #5 | Feb 5th | Simulation Parameters (Thermostat/Barostats/Cutoffs)/Gromacs | Xin |
| Week #6 | Feb 12th | VMD / Visualization | Sarah |
| Week #7 | Feb 19th | Trajectory Analysis (RDF/RMSD/Autocorrelation) | Janani |
| Week #8 | Feb 26th | Parallel Computing | Chowdhury |
| Week #9 | March 4th | Final Projects | Sarah |
| Week #10 | March 11th | Master Equations | Prof. Valleau |
Final Projects due during Finals Week