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
|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.
Until Oct. 10
Oct 17, Thu.
|14:00－14:15||Plenary Talk by host|
Coarse-Grained Molecular Dynamics Study of Lipid Self-Assembly
Molecular Dynamics Simulations of Biomolecular Motor F1-ATPase
Mitsunori Ikeguchi(Yokohama City Univ.)
A Molecular Dynamics Study on Proton Behavior in Aqueous and Biological Environments
Takefumi Yamashita(Tokyo Univ.)
All-Atom Analysis of Protein Solvation through Combination of Molecular Simulation and Solution Theory
Nobuyuki Matubayasi(Kyoto Univ.)
Monte Carlo Simulations of Concentrated Protein Solutions
Mikael Lund(Lund Univ.)
Oct 18, Fri.
Development of a Highly Parallelized General-Purpose Molecular Dynamics Simulation Program, MODYLAS, on the K computer
Yoshimichi Andoh(Nagoya Univ.)
Large-scale Molecular Dynamics Simulations with LAMMPS
Tzu Ray Shan(Sandia National Labs)
Development of GENESIS for large Scale Molecular Dynamics Simulation
Molecular Dynamics Simulation of Structure and Vibrational Spectra at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer
Tatsuya Ishiyama(Tohoku Univ.)
Implementation and Application of the Massively Parallel QM/MM-ER Method
Hideaki Takahashi(Tohoku Univ.)
Multi-scale computational analysis of biomolecular actions
Qiang Cui(University of Wisconsin)
Oct 19, Sat.
Kenji Yasuoka(Keio Univ.)
Free Energy of Solubilization of Solute Molecules in SDS Micelle
Kazushi Fujimoto(Ritsumeikan Univ.)
＊This program would be changed without a notice.
|Noriyuki Yoshii, Associate Prof.
Center for Computational Science
high-Performance Computation Section