授業の目的 【日本語】 Goals of the Course(JPN) | | |
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授業の目的 【英語】 Goals of the Course | | The use of computers and computing technologies has become crucial for handling complicated tasks and enhancing one's capabilities in conducting chemical studies. In this course, participants will receive an introduction to programming and how to use it efficiently for chemical calculations and numerical analysis. By learning the Python programming language, attendees will gain the skills necessary to write computer programs for numerical analysis. |
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到達目標 【日本語】 Objectives of the Course(JPN)) | | |
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到達目標 【英語】 Objectives of the Course | | The use of computers and computing technologies is rapidly growing in importance as a means of simplifying intricate tasks and enhancing one's capabilities in the field of chemical studies. This course aims to provide participants with a solid foundation in programming and equip them with the ability to write programs in Python language that are useful for tasks such as numerical analysis and chemical calculations. Upon completion of the course, individuals will have acquired the necessary knowledge and skills to write computer programs for numerical analysis using Python programming language. |
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バックグラウンドとなる科目【日本語】 Prerequisite Subjects | | |
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バックグラウンドとなる科目【英語】 Prerequisite Subjects | | |
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授業の内容【日本語】 Course Content | | |
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授業の内容【英語】 Course Content | | 1. Python programming Tutorial
2. Numpy Tutorial
3. Graph and plotting: Matplotlib
4. Quantum chemistry calculations
5. Potential energy curves
6. Geometry optimization
7. Plotting of molecular orbitals
Report assignments will be given as homework. |
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成績評価の方法と基準【日本語】 Course Evaluation Method and Criteria | | |
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成績評価の方法と基準【英語】 Course Evaluation Method and Criteria | | |
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履修条件・注意事項【日本語】 Course Prerequisites / Notes | | |
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履修条件・注意事項【英語】 Course Prerequisites / Notes | | Online (realime and on-demand) |
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教科書【日本語】 Textbook | | |
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教科書【英語】 Textbook | | Contact the instructor in charge. |
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参考書【日本語】 Reference Book | | |
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参考書【英語】 Reference Book | | Python tutorial: https://docs.python.org/3/tutorial/
Numpy quick tutorial: https://docs.scipy.org/doc/numpy/user/quickstart.html
Matplotlib quick tutorial: https://matplotlib.org/tutorials/introductory/pyplot.html
Hartree-Fock theory:
http://vergil.chemistry.gatech.edu/courses/chem6485/pdf/Hartree-Fock-Intro.pdf |
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授業時間外学習の指示【日本語】 Self-directed Learning Outside Course Hours | | |
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授業時間外学習の指示【英語】 Self-directed Learning Outside Course Hours | | |
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使用言語【英語】 Language used | | |
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使用言語【日本語】 Language used | | |
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授業開講形態等【日本語】 Lecture format, etc. | | |
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授業開講形態等【英語】 Lecture format, etc. | | |
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遠隔授業(オンデマンド型)で行う場合の追加措置【日本語】 Additional measures for remote class (on-demand class) | | |
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遠隔授業(オンデマンド型)で行う場合の追加措置【英語】 Additional measures for remote class (on-demand class) | | |
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