1st RSC－CMSI Joint Seminar
Strategic Crossover between High-Energy Photon Scienceand Computational Science for Multiscale Structure Science【Date】13:00～16:50, 15th (Sat.) Sep. 2012
【Venue】2F Conference Hall, SACLA Experimental Facility, RIKEN Harima Institute【Language】Japanese【Host】RIKEN SPring-8 Center (RSC)&Computational Materials Science Initiative (CMSI)(Field 2 "New Materials and Energy Creation" within the Next-Generation
Supercomputer Strategy Program of MEXT)【Purpose】
The Synchrotron Radiation (SR) as a probe of electrons in materials can beconsidered a probe of materials function since the SR allows us to visualize theelectrons distribution which governs the function. So far the electrons distribution
mapping and electrostatic potential imaging using SPring-8 has visualized the function
in crystals to develop structure science. On the other hand, an X-ray free electron laser‘SACLA’ has a huge potential for changing the conventional structure-properties
relationship research. The coherent X-ray of SACLA will be a promising tool to open
the door to multiscale structure science in non-crystals such as polymers and phasechange materials. In order to visualize the function in the multiscale structure, thestrategic use among SPring-8/SACLA/K computer is essential for us.
As the starting point, we have organized the first RSC-CMSI joint seminar ‘StrategicCrossover between High-Energy Photon Science and Computational Science forMultiscale Structure Science’. In the present seminar, the experimental andcomputational scientists who develop the crossover use between the SR and HighPerformance Computing (HPC) will give a talk in the viewpoint of multiscale structurescience. We would like to discuss the organic use and collaboration among SPring8/SACLA/K computer

【Program】
Chair: Kenichi Kato (RSC)
13:00～13:05
Opening Address: Director of RSC, Tetsuya Ishikawa
13:05～13:15
Masaki Takata (RSC)“Perspective on Multiscale Structure Science”
13:15～13:40
Shinji Tsuneyuki (CMSI, The Univ. of Tokyo)“Present Status and Future of Computational Materials Science by the Large-ScaleComputing”
13:40～14:05
Shinji Kohara (JASRI/SPring-8)“Visualization in the Nano-Scale Phase Change Mechanism by the Combination of theReverse Monte Carlo Simulation and DFT calculation”
14:05～14:30
Eiji Nishibori (Nagoya Univ.)
Visualization of Materials Structure and Function by the Application of the GeneticAlgorithm/MEM to Crystals
14:30～14:50

Coffee Break
Chair: Takashi Miyake (CMSI, AIST)

14:50～15:15
Hiroyuki Kishimoto (Sumitomo Rubber Industries, Ltd.)“Design and Development of the Energy Saving Tire using Large-Scale Simulation
based on the USAXS data”
15:15～15:40
Yuki Norizoe (JST/ERATO)“Monte Carlo Simulation of 2-Dimensional Micro Structures of Polymer Brushes”

15:40～16:05
Yasumasa Joti (JASRI/XFEL)“Bio-Supermolecule Imaging by the Crossover Use between SACLA and HPC”
16:05～16:45
Hidetoshi Fukuyama (Tokyo Univ. of Science)“Contribution of Large-Scale Research Facilities to Problem Solving Science”
16:45～16:50
Closing Address: Deputy Director of RSC, Masaki Takata
17:00～17:50
SACLA Tour
18:00～19:30
Party (SPring-8 Special Cafeteria, Fee: 3,000 yen)

Organizers: K. Kato (RSC), M. Takata (RSC)
Contact: K. Kato (katok@spring8.or.jp, PHS: 3476)