文科省「革新的ハイパフォーマンス・コンピューティング・インフラ(HPCI)の構築」HPCI戦略分野2「新物質・エネルギー創成」

計算分子科学イニシアティブ(CMSI)計算分子科学研究拠点

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ホーム > シンポジウム案内 >CMSI International Satellite Meeting in NAGOYA

HPCI Strategy Program(SPIRE)Field 2 "New Materials and Energy Creation"
Computational Materials Science Initiative
CMSI International Satellite Meeting in NAGOYA

The Meeting has been concluded successfully.

Date October 17, Thu - 19, Sat
Venue No.2 meeting room at Nagoya Urban Institute
Kanayama-minami bldg. 1-1-1, Kanayama-cho, Nakaku, Nagoya, 460-0023 Japan
Access:http://www.nui.or.jp/ENGLISH/access.htm
Aims and scope Computational studies of the biomolecular systems such as proteins and lipid membranes have been carried out using massive parallel supercomputers.
In this meeting the latest findings of the research obtained by using the large-scale molecular dynamics and QM/MM calculations are given by the invited speakers.
In addition to these presentations we will also discuss the future scientific challenges to be solved in the computational sciences and the technical problems of computation that we must overcome.
Invited Speakers Qiang Cui, University of Wisconsin, USA
Mikael Lund, Lund University, Sweden.
Tzu Ray Shan, Sandia National Laboratories, USA.
Kenji Yasuoka, Keio Univ.
Mitsunori Ikeguchi, Yokohama City Univ
Nobuyuki Matubayasi, Kyoto Univ.
Hideaki Takahashi, Tohoku Univ.
Wataru Shinoda, AIST
Yoshimichi Andoh, Nagoya Univ.

Registration

Please click right button for Registration.→

Until Oct. 10

Program

Oct 17, Thu.

14:00-14:15 Plenary Talk by host
14:15-15:00 Domestic
Coarse-Grained Molecular Dynamics Study of Lipid Self-Assembly
Wataru Shinoda(AIST)
15:00-15:45 Domestic
Molecular Dynamics Simulations of Biomolecular Motor F1-ATPase
Mitsunori Ikeguchi(Yokohama City Univ.)
15:45-16:15 Coffee Break
16:15-16:45 Domestic
A Molecular Dynamics Study on Proton Behavior in Aqueous and Biological Environments
Takefumi Yamashita(Tokyo Univ.)
16:45-17:30 Domestic
All-Atom Analysis of Protein Solvation through Combination of Molecular Simulation and Solution Theory
Nobuyuki Matubayasi(Kyoto Univ.)
17:30-18:30 International
Monte Carlo Simulations of Concentrated Protein Solutions
Mikael Lund(Lund Univ.)
18:30-19:00 Discussion

Oct 18, Fri.

9:30-10:15 Domestic
Development of a Highly Parallelized General-Purpose Molecular Dynamics Simulation Program, MODYLAS, on the K computer
Yoshimichi Andoh(Nagoya Univ.)
10:15-10:45 Coffee Break
10:45-11:45 International
Large-scale Molecular Dynamics Simulations with LAMMPS
Tzu Ray Shan(Sandia National Labs)
11:45-13:30 Lunch
13:30-14:00 Domestic
Development of GENESIS for large Scale Molecular Dynamics Simulation
Jaewoon Jung(RIKEN)
14:00-14:30 Domestic
Molecular Dynamics Simulation of Structure and Vibrational Spectra at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer
Tatsuya Ishiyama(Tohoku Univ.)
14:30-15:00 Coffee Break
15:00-15:45 Domestic
Implementation and Application of the Massively Parallel QM/MM-ER Method
Hideaki Takahashi(Tohoku Univ.)
15:45-16:45 International
Multi-scale computational analysis of biomolecular actions
Qiang Cui(University of Wisconsin)
18:00-20:00 Banquet

Oct 19, Sat.

9:30-10:15 Domestic
Kenji Yasuoka(Keio Univ.)
10:15-10:45 Coffee Break
10:45-11:15 Domestic
Free Energy of Solubilization of Solute Molecules in SDS Micelle
Kazushi Fujimoto(Ritsumeikan Univ.)
11:15-11:30 Wrap-up

*This program would be changed without a notice.

Contact

Noriyuki Yoshii, Associate Prof.
Center for Computational Science
high-Performance Computation Section
Nagoya University
TEL +81-52 788-6213
E-mail yoshii[at]ccs.engg.nagoya-u.ac.jp

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