- TAC-MI lecture at Tokyo-Tech (2023 Oct. and Nov.)
- The lecture plan is below and associated contents are in the links.
- The exercises in the lecture are for practice only. These are not used in the evaluation of the class grade.
- The deadline of the report submission is 12/8.
- If you have any question, feel free to ask: ishikawa.a.ai@m.titech.ac.jp
1st day(10/6): Introduction (both solid-state and molecular groups)
2nd day(10/20): Linux basic (file) and Introduction to quantum chemistry (file)
3rd day(10/31): Building input for energy calculation with Gaussian (file)
4th day(11/10): Geometry optimization, frequency analysis (file), and transition state search (file)
5th day(11/17): Molecular dynamics (file) and excited state (file)
6th day(11/24): Free day