멀티스케일 기계설계 전공에서 알려드립니다.



오는 7월 10일부터 3일간 DFT 집중강의가 진행 될 예정입니다.



자세한 내용 및 일정은 다음을 참고 바라며 수강시 별도의 등록이 필



요하지 않으니 많은 학생들의 참여 바랍니다. 감사합니다.

1. Title : Basics of Density Functional Theory (DFT) Simulations

2. Instructors : Prof. Kyeongjae Cho and Dr. Wei Xiao

3. Schedule :

 

	Date	Time	Venue
Lecture	Jul 10(Tue)~ Jul 12(Thu)	10AM~noon	Bldg.301, Rm. 204
Hands on Simulation Sessions		1PM~3PM	Bldg.301, RM. 109

 

4. Course Description :

Quantum mechanics (QM) provides an accurate description of material systems at nanometer scale (down to atomic and electronic scales). Even though it provides an accurate scientific description of small scale materials, the governing equation (Schrödinger equation) is a complex coupled partial differential equation so that its practical application has been a challenging problem. Through the development of DFT from 1960’s, this complex equation is rigorously formulated to provide accurate solutions for diverse QM problems. DFT is a powerful computational method to solve the Schrödinger equation for quantum many-body systems. In the basic theory, the total electron density n(r) is the fundamental physical variable which determines the total energy of the system E[n(r)]. In practical implementations of DFT methods, single electron wave functions are introduced to represent the electron density, and the corresponding Kohn-Sham equations are solved to determine the physical properties of the system from the first principles. The basic theory and practical issues in DFT simulations will be reviewed in the lectures, and students will practice example DFT simulations during the hands on session.  

 

5. About the Instructor:

Dr. Cho is a WCU Professor of Multisclae Mechanical Design, Seoul National University

and a Professor of Materials Science & Engineering and Physics at the University of Texas at Dallas. Dr. Cho’s research interest is computational modeling study of nanomaterials with applications to nanoelectronic devices and renewable energy technology. For materials modeling study, his research group has developed and used diverse atomistic modeling method and advanced first principles quantum simulation methods with emphasis on fundamental understanding of structure-property relationship. Clean energy catalysts and energy storage systems are current research focus areas.

※ Contact : Prof. Kyeongjae Cho (880-1709)