This project forked from wmfschneider/cbe60547
Computational Chemistry
License: GNU General Public License v3.0
This one semester course introduces the theory, numerical methods, and application of modern electronic structure methods. It covers concepts and includes hands-on examples for both molecular and periodic systems.
Syllabus available here or as pdf
| comp-notes.org | comp-notes.pdf |
| Due Date | Homework | |
|---|---|---|
| 1 | 4-Sept-2019 | HW 1 |
| 2 | TBD | HW 2 |
| 3 | TBD | HW 3 |
| 4 | TBD | HW 4 |
| 5 | TBD | HW 5 |
| 6 | TBD | HW 6 |
| Intro to Computing | Lab 1 |
| Intro to GAMESS | Lab 2 |
| Intro to Vasp | Lab 3 |
| Solids and Surfaces | Lab 4 |
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