培養學生獨立思考與研究解決問題的進階能力，學習量子統計熱/動力學理論，運用最新電腦系統和量子計算化學程式，模擬計算分子的電子結構及變化過程機制，研究，應用及探討如何解決環境化學中的相關問題。Cultivate students' advanced ability to think independently and study and solve problems, learn quantum statistical hot/motor theory, use the latest computer systems and quantum computing chemistry programs, simulate the electronic structure and change process mechanism of computing molecules, research, application and exploration of how to solve it Related problems in environmental chemistry.
Major Reference Book:
1. "Density-Functional Theory of Atoms and Molecules," by Robert G. Parr and Weitao Yang, Oxford, 1989；
2. Experimental and theoretical chemsitry database:
http://webbook.nist.gov/chemistry
3. Gaussian online manual:
https://gaussian.com/keywords/
https://gaussian.com/man/
4. Orca docs:
https://www.faccts.de/docs/orca/6.0/manual/
https://sites.google.com/site/orcainputlibrary/home
Major Reference Book:
1. "Density-Functional Theory of Atoms and Molecules," by Robert G. Parr and Weitao Yang, Oxford, 1989;
2. Experimental and theoretical chemistry database:
http://webbook.nist.gov/chemistry
3. Gaussian online manual:
https://gaussian.com/keywords/
https://gaussian.com/man/
4. Orca docs:
https://www.faccts.de/docs/orca/6.0/manual/
https://sites.google.com/site/orcainputlibrary/home
| 評分項目 Grading Method | 配分比例 Grading percentage | 說明 Description |
|---|---|---|
| Classroom OperationsClassroom Operations classroom operations |
25 | |
| mid-term testmid-term test -term test |
25 | |
| Final ProjectFinal Project Final project |
50 |
