First part | Second part | Third part


As the first part of the summer school, The Summer School on DFT: Theories and Practical Aspects will be held from July 2nd to 6th. The lectures will be given in the morning session and the first session in the afternoon. After the lectures, each of participants will conduct exercise or own problems using a machine installed in ISSP. The own problem will be the issues that each participant will discuss in the research proposal submitted in the registration. In the last dat (July 6th), every participants will give a presentation on calculations that they conducted to share information during all the participants.

The following program is still temporal. We will update it once more details are fixed.


The Program of the First Part

The 1st day (July 2nd)

8:50-9:15 Registration

9:15-9:30 Taisuke Ozaki
(ISSP)
Opening remarks
9:30-10:30 Taisuke Ozaki
(ISSP)
Fundamentals of density functional theories (DFT)
10:30-10:50 Break
10:50-11:50 Taisuke Ozaki
(ISSP)
Theories of pseudopotentials
11:50-13:30 Lunch
13:30-14:30 Taisuke Ozaki
(ISSP)
Localized basis methods: theory and implementations
14:30-15:30 Mitsuaki Kawamura
(ISSP)
Hands-on introduction of OpenMX
15:30-15:50 Break
15:50-17:20 All participants Logging in a computer in ISSP, and performing benchmark calculations

The 2nd day (July 3rd)

9:30-10:30 Taisuke Ozaki
(ISSP)
Molecular dynamics, stress, and nudged elastic band method
10:30-10:50 Break
10:50-11:50 Minoru Otani
(AIST)
TBA
11:50-13:30 Lunch
13:30-14:30 Taisuke Ozaki
(ISSP)
Large-scale electronic structure methods
14:30-14:50 Break
14:50-16:50 All participants Performing exercise or own problems
16:50-17:20 All participants Discussion session

The 3rd day (July 4th)

9:30-10:30 Taisuke Ozaki
(ISSP)
Relativistic effects and non-colliear DFT
10:30-10:50 Break
10:50-11:50 Myung Joon Han
(KAIST)
TBA
11:50-13:30 Lunch
13:30-14:30 Chi-Cheng Lee
(ISSP)
Unfolding band structure into a conceptual Brillouin zone
14:30-14:50 Break
14:50-16:50 All participants Performing exercise or own problems
16:50-17:20 All participants Discussion session

The 4th day (July 5th)

9:30-10:30 Hongming Weng
(CAS)
TBA
10:30-10:50 Break
10:50-11:50 Fumiyuki Ishii
(Kanazawa Univ.)
TBA
11:50-13:30 Lunch
13:30-14:30 Taisuke Ozaki
(ISSP)
First-principles electronic transport calculations
14:30-14:50 Break
14:50-16:50 All participants Performing exercise or own problems
16:50-17:20 All participants Discussion session

The 5th day (July 6th)

9:30-10:30 Taisuke Ozaki
(ISSP)
Core level binding energies in solids from first-principles
10:30-15:00 Break, Lunch, performing exercise or own problems, and preparing presetation material
15:00-17:30 All participants Presetantion about your projects and/or calculations (10 minutes per person)
17:30-17:40 Taisuke Ozaki
(ISSP)
Closing remarks