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重点課題5に関連するシンポジウムやワークショップなどのお知らせです。

重点課題5 第1回若手勉強会(CSE 1st Young Researcher Workshop)

 

主 催
Organizer
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」
“Priority Issue on Post-K computer” (Development of new fundamental technologies for high-efficiency energy creation, conversion/storage and use)
日時
Date
2018年8月20日(月)~8月22日(水)
August 20th, 2018 (Mon.) – August 22nd, 2018 (Wed.)
場所
Place
レクトーレ熱海桃山 LecTore Atami-Momoyama
〒413-0006 静岡県熱海市桃山町11-4
JR東海道本線 熱海駅より徒歩7分
7 min. walk from JR Shinkansen Atami Station
趣旨
Aim
若手の連携を図り、重点課題5をベースとしたコミュニティの発展の一助とする
To promote collaboration among young researchers and to develop the community of Priority issue group 5 (CSE).
参加者
Attendee
重点課題5及び関連する分野の若手研究者
Young researchers of Priority issue group 5 (CSE) and related fields
参加費
Registration fee
無料(但し、懇親会費は2500円を予定)
Free (¥2,500 for night discussions)
定員
Workshop capacity
30名(予算の関係で定員になり次第、締め切らせて頂きます)
30 people
宿泊及び旅費
Accommodation and travel fee
お部屋は事務局にて一括確保しており、旅費は事務局より支給いたします。
The CSE office reserved hotel rooms and support your travel fee.

講演プログラム

Day1,August 20th

13:00 – 13:30 受付/Registration
13:30 – 14:00 挨拶・説明等/Opening address and announcement
14:00 – 15:20 研究発表(サブ課題B) /Oral Presentation(Branch B) Chair: Masato Kobayashi

・Noriyuki Yoshii (Nagoya University), “Extensions of the Fast Multipole Method”

・Taichi Inagaki(Nagoya University), “Constant potential MD simulation method and its applications to electrochemical interfaces “

・Xichan Gao(National Institute for Materials Science ), “Improved Polarizable Dipole-Dipole Interaction Model for Hydrogen Bonding, Stacking, T-Shaped and X–H∙∙∙π Interactions “

・Ashu Choudhary(National Institute for Materials Science), “Revisiting Grignard Reagent Based Electrolytes in Magnesium-ion Battery: A first principles study”

15:50 – 17:10 研究発表(サブ課題B) /Oral Presentation(Branch B) Chair:Takashi Tsuchimochi

・Yoshimichi Ando(Institute for Molecular Science), “Performance improvements of software MODYLAS for the post-K computer”

・Shota Iizuka(National Institute for Materials Science), “van-der-Waals effects on organic liquids”

・Jiachao Zhang(Nagoya University), “Consideration of accelerating MODYLAS by utilizing single-precision SIMD on Post-K”

・Yoshiyuki Yamamoto(The University of Tokyo), “First-principles simulation of TiO2 electrocatalyst for polymer electrolyte fuel cell”

18:00 – 19:30 夕食 /Dinner
19:3022:00 懇親会・情報交換会(討論「インフォマティクス活用について」) /Discussion with food and drink (“HPC and materials informatics”)

 

Day2,August 21st

9:30 –10:30 研究発表(サブ課題A)/Oral Presentation(Branch A) Chair:Shota Iizuka

・Keisuke Sawada(RIKEN Center for Computational Science), “Development of large-scale ab initio quantum chemical code based on massively-parallel sparse-matrix library”

・Motoyuki Uejima(Kobe University), “Massively parallel implementation of model space quantum Monte Carlo method”

・Takashi Tsuchimochi(Kobe University), “Development of symmetry-projectionmethods targeting artificial photocatalysts”

11:00 – 12:00 研究発表(サブ課題A)/Oral Presentation(Branch A) Chair:Shusuke Kasamatsu

・Noriyuki Minezawa(RIKEN Center for Computational Science), “Trajectory surface hopping simulation toward understanding the mechanisms of photovoltaic solar cells”

・Enhua Xu(Kobe University), “A Full Coupled-Cluster Reduction For Accurate Description Of Strong Electron Correlation”

・Takehiro Yonehara(RIKEN Center for Computational Science), “Development of quantum dynamics methods for investigating a light energy conversion”

12:00 – 14:00 昼食、休憩/Lunch,Break
14:00 – 15:40 研究発表(サブ課題C)Oral Presentation(Branch C) Chair:Kazushi Fujimoto

・Kazuya Ishimura(Institute for Molecular Science), “Algorithm development for massively parallel quantum chemistry calculations “

・Masato Kobayashi(Hokkaido University), ” Recent Trends on Catalyst Informatics “

・Yoshifumi Nishimura(Waseda University), “Recent developments of divide-and-conquer density-functional tight-binding molecular dynamics method”

・Takuma Yagasaki(Okayama University), “Phase diagram of TIP4P/2005 water “

・Chien-Pin Chou(Waseda University), “Recent Development on Density-Functional Tight-Binding Parameterization “

16:10 – 17:10 研究発表(サブ課題B)Oral Presentation(Branch B) Chair:Keisuke Sawada

・Shusuke Kasamatsu(The University of Tokyo), “Direct coupling of first-principles calculation with replica exchange Monte Carlo sampling of ion disorder in solids

・Yan Lei(The University of Tokyo), “Hydrogen Adsorption on Pt(111) Revisited from Random Phase Approximation”

・Kazushi Fujimoto(Nagoya University), “Fracture Simulation of a Glassy Polymer by all-atomistic Molecular Dynamics Calculation”

18:00 – 19:30 夕食/Dinner
19:30 – 22:00 懇親会・情報交換会(発表「現時点でのポスト京公開情報紹介」など) /Discussion with food and drink (“Open information of Post-K Computer”)

 

Day3,August 22rd

9:30– 12:00 実習、意見交換会/Group exercise
12:00 – 13:30 昼食 Lunch
13:30 – 15:00 実習、意見交換会/Group exercise

 

お問い合わせ先

お問い合わせ先 〒444-8585 岡崎市明大寺町西郷中38
分子科学研究所 ポスト「京」重点課題5事務局
電話 0564-55-7353
FAX 0564-54-2254(代表)
E-mail ft-energy-office@yfep2.ims.ac.jp
※アドレス中の「@」は、半角にしてお送り下さい。