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 |
---|---|---|---|---|
5105059 | 分子模擬 | Molecular modelling | 3.0 | 3 |
中文概述 Chinese Description | 電腦運算速度的進展,隨著電子產業的快速進步,有很大的突破。因此,應運電腦模擬計算已經成為很多領域重要的工具之一。本課程將討論如何應用現今已有的免費分子模擬軟體,來進行分子設計與進一步了解其分子能階,及光譜預測。除此之外,應用在分子模擬上的分子力學,分子動力學,與量子化學的基本觀念也將一併闡述說明。課程中,除基本理論介紹外,也包含實際的軟體實作。 | |||
英文概述 English Description | The progress of electronic industry accelerates the computer development so that computer simulation becomes one of the important tool in many fields. In this course, we will discuss how to apply the computer to assist the molecular structure design. In order to gain insight into the basic idea of structural design, the fundamental background in molecular mechanics, molecular dynamics, and quantum chemistry will be introduced. A practical software introduction will also be included in the course. |
備註: