Asian Computational Materials Design Workshop

Day: Thursday, November 07, 2019

Time: 8:00

Venue: VJU - My Dinh Campus Map

Workshop

ASIAN COMPUTATIONAL MATERIALS DESIGN WORKSHOP (11th Asian CMD®Workshop, Vietnam)

Venue: Vietnam Japan University, My Dinh campus, Luu Huu Phuoc Street, My Dinh I Ward, Nam Tu Liem District, Hanoi, Vietnam


Date: November 07 - 09, 2019


Organizer: Vietnam Japan University

Co-organizer: Osaka University, Hanoi University of Science


With the purpose of imparting the quantum simulations techniques, Asian CMD® Workshop (ACMD) has been organized in Vietnam from 2009 with cooperation of Osaka University and universities in Vietnam for many times. In 2019, ACMD will be held at Vietnam Japan University. This workshop will provide lectures on cutting-edge researches in computational material design as well as hands-on practical training on quantum simulation. The workshop will also include lectures with an overview of possible roles of CMD® in Vietnam, techniques of electronic structure calculations together with their applications to design new functional materials. Furthermore, several simulation packages, which provide efficient first-principles electronic calculations and molecular dynamics simulations, will be introduced by the software owners on the hands-on practical training courses. 


Program:

Nov. 07 

Nov. 08 

Nov. 09 

08:30 – 09:00  Registration

9:00 – 9:40 (Room 414) Special Lecture 1 

Overcharging of Zinc ion in zincfinger protein structure is needed for 

DNA binding stability 

Prof. Nguyen The Toan

9:40 – 10:20 (Room 414) Special Lecture 2 

Excitonic properties and potential advanced applications of two-

dimensional organo-metal halide perovskite materials 

Dr. Nguyen Tran Thuat

10:20 – 11:00 (Room 414) 

Special Lecture 3 

Impact of Parallel Computing on 

Study of Time Evolution of a 

Quantum Impurity System in 

Response to a Quench 

Dr. Nghiem Minh Hoa 

 

Lunch

              

13:00 – 18:00 (Room 415)

Basic Theory for AkaiKKR 

Hands-on Tutorial 2 

(AkaiKKR) 

Prof. Sato Kazunori 

 

 

 

08:30 – 11:40 (Room 415) 

(including 10 mins coffee-break) 

 

Basic Theory for STATE-Senri 

Hands-on Tutorial 3 

(STATE-Senri) 

Prof. Morikawa Yoshitada

 

 

09:00 – 09:15 (Room 415) 

Welcome Address 

Vice Rector of VJU and 

Prof. Oguchi Tamio 

09:15 – 10:15 (Room 415) 

Short Tutorial on HPC Dr. Dinh Van An 

Break (10 mins) 

10:25 – 11:25 (Room 415) 

Electronic Calculation and DFT 

Prof. Oguchi Tamio 

Lunch

Lunch

13:30 – 17:30 (Room 415)Hands-on Tutorial 1 

(HiLAPW)

Prof. Oguchi Tamio 

Break (10 mins) 

 

 

18:00 ~ 20:00 

 

Group Picture 

 

Welcome Party

13:30 -15:30 (Room 415) 

Hands-on Tutorial 4 

(STATE-Senri) 

Prof. Morikawa Yoshitada 

Break (10 mins) 

15:40 – 16:20 (Room 415) Special Lecture 4 

Methane Dry Reforming Reaction and its coking-poisoning effects on 

Ni and Ru Stepped-Surfaces Prof. Nakanishi Hiroshi 

16:20-17:00 (Room 415) 

Special Lecture 5 

Surface as a Playground for Exploring Physical Phenomena and a Foundation for Realizing 

Designer Materials, Materials and 

Process Design 

Prof. Wilson Agerico Diño 

17:00 – 17:50 (Room 415) 

Certification Conferring and Closing Remarks 

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