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OPEN COURSE WARE

Computational Nanomaterials Physics(Prof. Yong-Hyun Kim)

<html lang="ko" xml:lang="ko" xmlns="http://www.w3.org/1999/xhtml"> <body style="line-height: 1.4; background-color: #ffffff; margin: 0px; font-family: 돋움; color: #333333; font-size: 9pt"> <p style="text-align: center; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="center"><b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-size: 11.0pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Computational Nanomaterials Physics</span></b><span style="line-height: 140%; font-family: 굴림; font-size: 12pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> </span><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> <br /></span></p> <p style="text-align: center; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="center"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">&nbsp; <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">&nbsp; <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-size: 11.0pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Lecturer:</span></b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> Prof. Yong-Hyun Kim <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">&nbsp; <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Textbook:</span></b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> Electronic Structure (Basic Theory and Practical Methods) <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Richard M. Martin (Cambridge, 2008) <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">&nbsp; <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Course Description: </span></b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Computer simulation based on quantum mechanics is now an important tool to interpret/predict/design new functionalities of materials at nanoscale in field of physics, chemistry, and materials science. Electronic structure calculations based on the density-functional theory (DFT) have been widely used in this purpose. It is now a trend that even an experiment paper is supplemented with a DFT calculation. So, it is greatly demanded for graduate students and experimentalists, who want to use a DFT software, to learn basic theories and practical skills of the method. In this class, we will review basic theories and practices of modern electronic structure calculations, and students will perform a term project with a DFT software on selected topics to acquire basic computational skills. <br /></span></p> <p style="text-align: left; line-height: 140%; margin: 0cm 0cm 0pt; text-autospace: ideograph-numeric; word-break: keep-all; mso-pagination: widow-orphan" class="MsoNormal" align="left"><b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-size: 11.0pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US">Software:</span></b><span style="line-height: 140%; font-family: 굴림; font-size: 9pt; mso-bidi-font-family: 굴림; mso-font-kerning: 0pt" lang="EN-US"> PWscf will be used (<a href="http://nbst.kaist.ac.kr/%22http:/nbst.kaist.ac.kr/%22http:/www.pwscf.org/%22/%22" target="_blank"><span style="line-height: 140%; color: blue; mso-bidi-font-size: 11.0pt"><u>http://www.pwscf.org</u></span></a>) <br /></span></p></body></html>

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