Asia Computational Materials Design Workshop, Hanoi

(Asia CMD ® Workshop, Hanoi)

Venue : Hanoi University of Science, Vietnam National Unviersity

334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam

Date : November 26-27, 2009

(The poster is here.)
(updated at 20 November, 2009)


  Computational materials design (CMD®) is a computational approach aimed at developing new materials with specified properties and functionalities. The basic ingredient is the use of quantum simulations to solve the materials science problems in order to design a material that suits this specification. CMD® has the high potentiality to impact the real industrial research and development.

  With the purpose of imparting on the participants various quantum simulations techniques, the Hanoi University of Science (HUS), Vietnam National University in cooperation with Osaka University (OU) will organize the Asia CMD® Workshop in Hanoi, Vietnam. This workshop will provide lectures on cutting-edge researches in computational material design as well as hands-on practical training on quantum simulation. The invited speakers are top experts in this field.  


  The workshop will have lectures with the overview of possible roles of CMD® in Vietnam, techniques of electronic structure calculations together with their applications to design new functional materials for nano-spintronics, fuel cell and so on.

  For the hands-on course, we choose Machikaneyama2002, which is one of the most efficient Density Functional Theory (DFT) based codes for computational material design using the first-principles Korringa-Kohn-Rostoker (KKR) Green' function method.  


        Hisazumi Akai, Osaka University (chair)

        Bach Thanh Cong, Hanoi University of Science (co-chair)

        Hideaki Kasai, Osaka University (co-chair)



Organizing committee 

      Masaaki Geshi (OU)

      Hiroshi Nakanishi (OU)

      Nguyen Anh Tuan (HUS)

      Nguyen Hoang Long (OU-HUS)

      Do Ngoc Son (OU-HUS)


        Prof. Hisazumi Akai (OU)

        Prof. Masako Ogura (OU)

        Prof. Tetsuo Ogawa (OU)

        Prof. Tomoya Ono (OU)

        Prof. Kouichi Kusakabe (OU)

        Prof. Hideaki Kasai (OU)

        Prof. Hiroshi Nakanishi (OU)

        Prof. Hiroshi Katayama-Yoshida (OU)

        Prof. Bach Thanh Cong (HUS) 


- Deadline for registration 15 November 2009 
- Fee: free of charge 
- Registration Data: 
(1) Full Name, (2) Affiliation, (3) Office Address, (4) E-mail Address, (5) Phone Number

- Mailing Address:

- Tel: +84-4-35583980;+84-975094766       Fax: +84-4-38584069 

The registration form WORD PDF

Program (tentative)    

26th November (Thursday) 

        9:00 - 9:30: Registration

        9:30-9:40 Opening (Prof. B. T. Cong)

        9:40-11:00  Lecture and Tutorial (Prof. H. Akai) (The text is here.)


       11:10-12:30  Hands-on tutorial (Prof. H. Akai, Prof. M. Ogura)


       13:30-15:00  Hands-on tutorial (Prof. H. Akai, Prof. M. Ogura)


       15:30-17:00  Hands-on tutorial (Prof. H. Akai, Prof. M. Ogura)

       18:00-   Banquet 

27th November (Friday) 

       9:00-9:35  Lecture A (Prof. T. Ogawa)

                        DYCE optical physics: A new research field combining
                          quantum many-body physcs and quantum nonlinear optics

       9:35-10:20  Lecture B (Prof. B. T. Cong)

                        Long range orders in low-dimensional perovskite system


       10:30-11:05  Lecture C (Prof. H. Nakanishi)

       11:05-11:40  Lecture D (Prof. H. Katayama-Yoshida) (The texts are here1 2 3 4.)

                        Computational Materials Design for Semiconductor Spintronics

       11:40-12:15  Lecture E (Prof. K. Kusakabe) (The text is here.)

                        Density functional theory of electron phase transitions


       13:15-13:50  Lecture F (Prof. T. Ono) (The textx are here1 2.)

       13:50-14:25  Lecture G (Prof. H. Kasai)


       14:40-15:00  Oral presentation (Prof. H. N. Nhat )

                        Ground State of the spin chain system by DFT

       15:00-15:20  Oral presentation (Dr. N. H. Long)

                        Computational Materials Design: New type of half-metallic antiferromagnets

       15:20-15:40  Oral presentation (Dr. N. A. Tuan)

                        Computational Design of Single-Molecule Magnets


       15:55-16:15  Oral presentation (Dr. D. N. Son)

                        Protein exchange membrane fuel cells and oxygen reductions on cahode

       16:15-16:35  Oral presentation (Ms. N. T. M. Hoa)

       16:35-16:55  Oral presentation (Mr. N. T. Quang)

                        The role of metal porphyrin tape as sensor in detecting NO gas

       16:55-17:10  Closing (Prof. H. Kasai) 


        - Institute for NanoScience Design (INSD), Osaka University,

        - Department of Physics, Graduate School of Science, Osaka University,

        - Hanoi University of Science (HUS), Vietnam National University (TRIG program), Program QGTD09-05.

        - Quantum Engineering Design Research Initiative (QEDRI), Osaka University,