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  TOMBO Workshop


Workshop venue

Berjaya Times Square Hotel, Kuala Lumpur-Malaysia

 

Workshop Info

As in previous ACCMS conferences, we will organize one-day pre-conference workshop on 8 August 2017. In the ACCMS-9, we offer a workshop on using Tohoku Mixed-Basis Orbitals ab-initio program (TOMBO).

The workshop provides a good opportunity to learn TOMBO with the tutoring of the authors and developers of the code. The workshop activities will be aimed at

  • university academics
  • researchers from Industry
  • postgraduate students
  • engineering, science and life-science

This full-day workshop includes lectures on the scientific aspects of the methods, applications, and hand-on sessions. Lectures and hand-on sessions will be conducted with the aim of imparting the participants on ab initio simulation for explaining materials properties and for performing ab initio design of new materials.

The pre-requisite of the workshop is to have a basic knowledge of quantum mechanics, solid state physics, and chemistry.

During the hand-on session of TOMBO, participants need to bring own laptop computer.

 

Tohoku Mixed-Basis Orbitals ab-initio program (TOMBO)

http://adminconference.um.edu.my/upload/630-1/TOMBO.jpg

TOMBO is an efficient all-electron mixed basis (first-principles calculation) code, which uses both plane waves and atomic orbitals as a basis set. It can treat not only periodic systems (supercell systems and crystals) but also isolated systems (atoms, clusters, and molecules).

In addition to usual LDA calculations, the GW approximation for low lying levels, time-dependent density functional theory (TTDFT) for tracing chemical reactions, core related properties such as hyperfine structures, and absolute energy value estimation of electron affinity and ionization potential are also possible.

For downloading the TOMBO-related documents, executable program & LDA source code, please visit:

http://www.ohno.ynu.ac.jp/tombo/index.html

 

Speakers

Kaoru Ohno, Yokohama National University, Japan

Yoshiyuki Kawazoe, Tohoku University, Japan

Ryoji Sahara, National Institute for Materials Science, Japan

 

Organizers

Chew Khian Hooi, University of Malaya

Rauzah Hasim, University of Malaya

Vannajan Sanghiran Lee, University of Malaya

M. Vijayan A/l Manickam Achari, University of Malaya

 

Program  (updated 30 July)

8 AUGUST 2017 (Tuesday)

08:30 - 09:00

Registration

09:00 - 10:00

Lecture I (60 mins)

Introduction of ab-initio simulation for explaining materials properties and designing to new materials

10:00 - 11:00

Lecture II (60 mins)

Importance of all electron formulation in ab-initio simulation and TOMBO project

11:00 - 11:20

Coffee/Tea Break (20 mins)

11:20 - 11.40

Presentation by TOMBO user (20 mins)

“Electronic Properties Calculation of Fullerene-type Clusters (C20 & C60) using TOMBO All-Electrons Method”

Icuk setiyawati, National Central University, TAIWAN

11.40 - 12.00

Presentation by TOMBO user (20 mins)

“Calculations for Paraelectric Phase of LiNbO3: A First-Principle Calculations”

Ken-Ming Lin, National Central University, TAIWAN

12:00 - 13:00

Lunch (60 mins)

13:00 - 14:30

*Hands-on Session I (90 mins)

Exercises with TOMBO program

14:30 - 15:00

Coffee/Tea Break

15:00 - 16:30

*Hands-on Session II (90 mins)

Exercises with TOMBO program

16:30 – 17:00

Closing

17:00

End

 

*BRING OWN LAPTOP

Workshop Venue Floor Plan

              

 


 
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