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 |
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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
13:00 – 18:00 (Room 415) Basic Theory for AkaiKKR * Hands-on Tutorial 2 (AkaiKKR) Prof. Sato Kazunori
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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
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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 |
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Break (10 mins) |
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10:25 – 11:25 (Room 415) Electronic Calculation and DFT Prof. Oguchi Tamio |
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Lunch |
Lunch |
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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 |
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Break (10 mins) |
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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 |
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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 |
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17:00 – 17:50 (Room 415) Certification Conferring and Closing Remarks |