| 課程編碼 Course Code | 中文課程名稱 Course Name (Chinese) | 英文課程名稱 Course Name (English) | 總學分數 Credits | 總時數 Hours |
|---|---|---|---|---|
| 7815190 | 計算材料科學 | Computational materials science | 3.0 | 3 |
| 中文概述 Chinese Description | 本課程目的在了解「為何」與「如何」以電腦模擬方式進行材料科學研究。課程內容提及量子化學、固態物理與密度泛函理論(DFT)。而後將實際演練基本的材料模擬計算，內容包括結構最佳化、電子性質、光學性質、機械性質等，並將透過Python進行資料處理。學生可透過此課程學到材料模擬的基本原理、工作流程與實際操作，得以以理論觀點/微觀尺度評估材料議題。 | |||
| 英文概述 English Description | The main purpose of the course is to understand “why to do” and “how to do” researches in materials science by using computer simulations. The background theory of quantum chemistry, solid-state physics and density functional theory (DFT) will be briefly introduced. The common tasks of materials simulations, including structural optimizations, electronic properties, optical properties, mechanical properties, etc., will be then demonstrated and employed. Basic commands of Python will also be introduced in doing data processing for analyses. Students will learn about basic principles, workflows and practices of materials simulations, being capable to evaluate materials’ issues from theoretical and microscopic viewpoints. | |||
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