授業の目的 【日本語】
Goals of the Course(JPN) | | | 分子情報素子や情報機能物質の調製や化学反応の選択性に重要な情報を提供する，多体相互作用などを含む量子化学的計算法や分子力学的計算法など，高度な計算手法を理解し，限界や発展性を見出す能力を養うとともに，その手法を使いこなす研究能力を養う。 |
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授業の目的 【英語】
Goals of the Course | | | This course deals with sophisticated calculation methods such as quantum chemistry calculation methods including many body interaction etc. and molecular mechanics method which provide important information for the production of molecular information device and information functional materials and selectivity of chemical reactions. It also enhances the development of students’ ability to understand limitation and possibilities of the methods and cultivate the research ability to master the methods. |
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到達目標 【日本語】
Objectives of the Course(JPN) | | 終了時に，以下のことができるようになることを目標とする。
１)「授業の目的」で示した計算手法を使いこなすことができる。
２)「授業の目的」で示した計算手法を用いた計算結果を評価することができる。 |
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到達目標 【英語】
Objectives of the Course | | After studying all, student will be able to:
1) Utilize the calculation methods indicated in the course purpose.
2) Evaluate the results obtained with the calculation methods indicated in the course purpose. |
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授業の内容や構成
Course Content / Plan | | 分子や分子集合体の持つ構造的，電子的，磁気的特徴などの物質情報を提供する高精度な分子軌道法や分子力学法，およびそれらの研究例を記述したテキスト・論文の輪読・議論を行う。学習効果を高めるために，計算手法の限界や発展性についての議論も行う。国際学会等でも通用するプレゼンテーション能力を養うため，発表は適宜英語で行う。
〔計画〕
1. 「内容」で示した計算手法について，テキストや論文などの題材を選ぶ。
2. １で選んだ題材を用いて，輪講・議論を行う。
3. 習得した計算手法について，セミナー参加者全員で限界や発展性を含めた議論を行う。 | Each member gives a lecture in turn, for the sake of discussion, based on texts and research papers describing advanced molecular orbital methods and molecular mechanics method that provide material information such as structural, electronic and magnetic characteristics of molecules and molecular assemblies and their research examples. In order to enhance learning effect, we will also discuss the limitations and possibilities of the methods. In order to enhance the presentation skills that are accepted at international conferences etc., the presentation will be made in English as appropriate.
1. Select a subject about the calculation methods indicated above.
2. Each member gives a lecture in turn for the sake of discussion about the subject selected in 1.
3. Members discuss about the calculation methods acquired including their limitations and possibilities. |
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履修条件・関連する科目
Course Prerequisites and Related Courses | | | 特に履修条件は要しない。 | | No registration requirements. |
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成績評価の方法と基準
Course Evaluation Method and Criteria | | | プレゼンテーションや討論の適切さ６０％，セミナーへの取組状況４０％で評価し，合計１００点満点で６０点以上を合格とする。履修取り下げ制度は用いない。欠席回数が４回以上の場合は「W（欠席）」とする。 | | Your final grade will be calculated according to the following process: the quality of the presentation and discussion (60%) and the contribution to the seminar (40%). To pass, students must earn at least 60 points out of 100. Students who do not intend to complete the course do not need to submit a course withdrawal request form. If a student is absent 4 times or more during the quarter, the final grade will be a “W”. |
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教科書・参考書
Textbook/Reference book | | | 発表者が資料を作成し，配布する。教科書・参考文献は，必要に応じて指示する。 | | The member in turn prepares materials and distributes them. |
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課外学習等（授業時間外学習の指示）
Study Load(Self-directed Learning Outside Course Hours) | | | プレゼンテーションの準備，資料作成。 | | Preparation for presentation and of materials. |
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授業開講形態等
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
Additional measures for remote class (on-demand class) | | |
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