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
Kaoru Ohno, Yokohama National University, Japan
Yoshiyuki Kawazoe, Tohoku University, Japan
Ryoji Sahara, National Institute for Materials Science, Japan
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|