TOMBO tutorial

Workshop Info

As in previous ACCMS conferences, we will organize one-day pre-conference workshop on September 7, 2018. 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 hands-on sessions. Lectures and hands-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 hands-on session of TOMBO, participants need to bring own laptop computer.

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

Bach Thanh Cong, VNU-Hanoi University of Science

Nguyen The Toan, VNU-Hanoi University of Science

Vu Ngoc Tuoc, Hanoi University of Science and Technology

Program  (continue to update)

7 SEPTEMBER 2018 (Friday )
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)SPEAKER
11.40 - 12.00 Presentation by TOMBO user (20 mins)SPEAKER
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
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