PCoMS TOMBO Hands-on Seminar 2019
overview & application form
TOMBO is an abbreviation of "TOhoku Mixed-Basis
Orbitals ab initio program" and
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| Date / 日程： |
9:30 - 17:30, December 10(Tue), 2019 |
| Venue / 会場： | seminar room 1 on 2nd floor at International Center of Educational Research, Institute for Materials Research, Katahira Campus, Tohoku Univ.（2-1-1 Katahira, Aoba-ku, Sendai 980-8577） Access map and campus map are here. 東北大学 片平キャンパス 金属材料研究所国際教育研究棟 2階セミナー室１（宮城県仙台市青葉区片平2-1-1） |
| Lecturer / 講師： |
Kaoru Ohno (Yokohama National Univ.) Yoshiyuki Kawazoe (NICHe, Tohoku Univ.) Riichi Kuwahara (Dassault Systèmes K.K.) |
| Capacity / 定員： |
18 persons |
| registration fee / 参加費： |
Free
Financial support for travel expenses is available for 1. the members of PCoMS IPD program 2. doctoral course students, postdocs, and fixed-term assistant professor level researchers within ten years of their acquisition of the doctoral degree, who are member of Tohoku University, the University Tokyo, Osaka University and the Institute for Molecular Science. For details please check the following remarks. |
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| How to apply and the deadline / 申込方法と〆切： |
Please apply using following application form by Dec. 3(The). If you wish to get the financial support for travel expense, please apply by Nov. 26(Tue). |
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| Overview / 概要： |
This seminar is for anyone, who is interested in the first-principles code, TOMBO.
TOMBO uses the all-electron mixed basis approach, in which one-electron orbitals
are expressed with both plane waves and atomic orbitals. TOMBO can handle both
isolated systems and crystal (or periodic) systems in a unified way. It can perform
not only LDA calculations but also GW (+ Bethe-Salpeter equation) calculations.
It also handles the TDDFT dynamics simulations in the excited states as well as
the usual first-principles molecular dynamics (MD) simulations in the ground state.
The hands-on tutorial is about 3 hours including (1) GW+Bethe-Salpeter calculation
for Li_2, (2) LDA band calculation for Si crystal, (3) first-principles MD simulation for
the chemical reaction CO_2 +2H → HCOOH, and (4) GW calculation for Si crystal. |
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program / プログラム： |
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| Notes / 備考： |
Practice is done using windows OS PC. Please bring your own Windows OS PC. Please download the following two softwares and install in your PC before the TOMBO Seminar: (1) VMD https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD (2) VESTA https://jp-minerals.org/vesta/en/download.html 質疑応答は、日本語でも可能です。 |
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financial support / 旅費支援： |
Those who wish to get the support are requested to join “PCoMS - Innovative Professional Development (IPD) Program (category: General or Fellow)”. Please find requirements for completing IPD program (Fellow, General) & list of elective courses at 2019-0214-2018-2019_PCoMS_IPD-program-requirement.pdf For the application, please visit https://pcoms-office.imr.tohoku.ac.jp/ (for fellow / general) If you are a member of IPD program, please indicate in the notes of application form that you want financial support for the travel expense. |
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| Contact address / 問合せ先： |
Professional development Consortium for
Computational Materials Scientists (PCoMS) PCoMS office (pcoms=imr.tohoku.ac.jp : Please replace = with @.) 東北大学金属材料研究所 計算物質科学人材育成コンソーシアム（PCoMS）事務局 メール： pcoms=imr.tohoku.ac.jp (=を@に変更してください。) |
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| Cooperation / 協賛： |
Post-K Exploratory Challenge Challenge of Basic Science - Exploring Extremes through Multi-Physics and Multi-Scale Simulations ポスト「京」萌芽的課題 基礎科学の挑戦－複合・マルチスケール問題を通した極限の探求 Post-K Priority Issue 5 Development of new fundamental technologies for high-efficiency energy creation, conversion/storage and use ポスト「京」重点課題(5) エネルギーの高効率な創出、変換・貯蔵，利用の新規基盤技術の開発 "Materials research by Information Integration" Initiative 情報統合型物質・材料開発イニシアティブ Center for Computational Materials Science, Institute for Materials Research, Tohoku University 東北大学 金属材料研究所 計算材料学センター |