シラバス表示
シラバスの詳細な内容を表示します。
→ 閉じる（シラバスの一覧にもどる）
科目の基本情報
| 開講年度 | 2020 年度 | |
|---|---|---|
| 開講区分 | 工学研究科(博士前期課程)物理工学専攻 | |
| 領域 | 主領域 : E | |
| 受講対象学生 |
大学院(修士課程・博士前期課程・専門職学位課程) : 1年次 |
|
| 選択・必修 | 選択 |
|
| 授業科目名 | 物質情報学特論演習 | |
| ぶっしつじょうほうがくとくろんえんしゅう | ||
| Seminar in Electronic Structure and Materials Informatics | ||
| 単位数 | 2 単位 | |
| ナンバリングコード | EN-PHYS-5
|
|
| 開放科目 | 非開放科目 | |
| 開講学期 |
後期 |
|
| 開講時間 |
金曜日 1, 2, 3, 4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 |
|
|
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 exercises on electronic structure calculations and materials informatics. An attention is first drawn to electronic structure calculation methods, started by nearly free electrons in periodic potential, where algorithm and technique in programming of electronic structure calculations of solid (3-dimensional lattices) will be given. Then, electronic structures and material properties of simple solids will be calculated by using an existing code of advanced electronic structure calculation method. Finally, by collecting data of materials properties from electronic structure calculations, data analysis and prediction of structures and properties of materials with machine learning technique will be performed. |
|---|---|
| 学修の目的 | The purpose of this course is to provide fundamental techniques in programming for electronic structure calculations of solids. |
| 学修の到達目標 | The goal of this course is to obtain skills in programming for electronic structure calculations of solids, 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 and attendance. Attendance more the 80% will be required. |
| 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 | バンド理論（小口多美夫、内田老鶴圃） Electronic structure: Basic theory and practical methods （Richard M. Martin, Cambridge） |
| オフィスアワー | Friday 12:00～12：50: Room#6402, 4F, Second Joint building E-mail before visit will be required: nakamura.kohji@mie-u.ac.jp |
| 受講要件 | Theory of Electronic Structure and 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. Introduction of programming languages 3. Exercise: programming for band structure of free electrons 4-5. Exercise: programming for nearly free electrons in a periodic potential 6-7. Exercise: programming for nearly free electrons in a periodic potential 8. Introduction of electronic structure calculation methods 9. Exercise: self-consistent calculations of simple solids 10. Exercise: calculation of electronic structures of simple solids 11. Exercise: calculations of material properties of simple solids 12. Introduction of material informatics 13-14. Exercise: collecting data of material properties 15. Exercise: date analysis of material properties by machine learning |
| 事前・事後学修の内容 |