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科目の基本情報
| 開講年度 | 2020 年度 | |
|---|---|---|
| 開講区分 | 工学研究科(博士後期課程)材料科学専攻 | |
| 受講対象学生 |
大学院(博士課程・博士後期課程) : 1年次 |
|
| 選択・必修 | 選択 |
|
| 授業科目名 | 量子物質情報学演習 | |
| りょうしぶっしつじょうほうがくえんしゅう | ||
| Seminar in Quantum Materials Informatics | ||
| 単位数 | 2 単位 | |
| ナンバリングコード | EN-PHYS-7
|
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| 開放科目 | 非開放科目 | |
| 開講学期 |
通年 |
|
| 開講時間 |
月曜日 9, 10時限 |
|
| 開講場所 | ||
| 担当教員 | 中村 浩次 （工学研究科物理工学専攻） | |
| NAKAMURA, Kohji | ||
| SDGsの目標 |
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学修の目的と方法
| 授業の概要 | Many properties of materials can now be determined from electronic structures. This course aims to provide overview of the modem quantum theory of electronic structure and materials informatics. An attention is first drawn to several advanced electronic structure calculation methods for predicting structures of crystals, surfaces and interfaces, and nanostructures. Then, exercises are extended to those of various material properties including mechanical properties, electron transport, optical properties, and magnetic properties. Finally, by collecting data of materials properties from electronic structure calculations, data analysis and prediction of structures and properties with machine learning technique will be performed. |
|---|---|
| 学修の目的 | The goal of this course is to obtain skills in programming for electronic structure calculations of solids., and understand material properties from electronic structures. |
| 学修の到達目標 | The goal of this course is to obtain skills in programming for electronic structure calculations of solids, including surfaces/interfaces and beyond them, and understand material properties from electronic structures. |
| ディプロマ・ポリシー |
|
| 成績評価方法と基準 | Grade will be decided based on reports. |
| 授業の方法 | 演習 |
| 授業の特徴 |
教員と学生、学生相互のやり取りが、ほぼ英語で進められる授業 |
| 授業改善の工夫 | |
| 教科書 | |
| 参考書 | |
| オフィスアワー | Friday 12:00～12：50、Rome 6402, 4F, Second Joint building E-mail before visit will be required: nakamura.kohji@mie-u.ac.jp |
| 受講要件 | Quantum Materials Informatics |
| 予め履修が望ましい科目 | |
| 発展科目 | |
| その他 |
英語対応授業である。 |
授業計画
| MoodleのコースURL |
|---|
| キーワード | |
|---|---|
| Key Word(s) | Electronic structures, Material properties, Material informatics |
| 学修内容 | 1. Introduction 2. Electronic structure calculation methods 3. Exercise: calculations of crystal structures of solid 4. Exercise: calculations of Surfaces and interfaces 5. Exercise: calculations of defects in crystal 6-7. Exercise: calculations of mechanical properties 8-9. Exercise: calculations of electron transport 10-11. Exercise: calculations of optical properties 12-13. Exercise: calculations of Magnetism 14-15. Exercise: date analysis of material properties by machine learning |
| 事前・事後学修の内容 |