D-2 : Creation and characterization of advanced materials through computer simulation
Organizers:
Representative
| Prof. Masato Yoshiya | Osaka University |
Correspondence
| Prof. Fumiyasu Oba | Tokyo Institute of Technology | mrsj-correspondence@cmdc.ams.eng.osaka-u.ac.jp |
| Prof. Tomoyuki Tamura | Nagoya Institute of Technology | mrsj-correspondence@cmdc.ams.eng.osaka-u.ac.jp |
Co-Organizers
| Dr. Craig A. J. Fisher | Japan Fine Ceramics Center |
| Prof. Tokuteru Uesugi | Osaka Prefecture University |
| Prof. Takao Kotani | Tottori University |
| Dr. Masanori Kohyama | National Institute of Advanced Industrial Science and Technology |
| Prof. Hannes Raebiger | Yokohama National University |
Publication Organizer
| Prof. Masato Yoshiya | Osaka University |
Scope:
Computational materials science is a dynamic and rapidly developing field now viewed as essential for the characterization and creation of new materials. Together with high-resolution, high-precision experimental methods, computer simulation combined with information science is facilitating a materials revolution by enabling complex systems to be analyzed and designed from the nano-scale upwards. It thus has a vital role to play in addressing many pressing problems facing society in the areas of energy, health, environment, transport, and manufacturing. This symposium will focus on properties of newly developed materials based on a wide range of computational materials science methods spanning from the electronic and atomic levels to continuum models (including quantum-mechanical calculations, classical molecular dynamics, dislocation dynamics, phase-field modeling, and multiscale methods). Results from these methods will form the basis of lively and multifaceted discussions of materials phenomena such as electrical and thermal conductivities, ferroelectricity, magnetism, catalysis, optics, grain growth and sintering. Contributions relating to new computational techniques or the burgeoning field of materials informatics are particularly welcome.
Topics:
1.Computational Materials Science
2.Materials Design
3.Grain boundaries/Interfaces/Surfaces/Dislocations/Point Defects
4.Functional Materials/Structural Materials
5.Electronic Structure/Atomistic Simulation Methods
6.Microsopic Continuum Matter Models and Multiscale Simulation Methods
List of Invited Speakers (Alphabetical Order)
- Prof. Yoshihiro GOHDA (Tokyo Inst. Tech.)
"First-principles electron theory of magnetic materials" - Prof. Shota ONO (Gifu Univ.)
"Ultrafast dynamics of nonequilibrium electrons and phonons in solids" - Dr. Ryo TAMURA (NIMS/Univ. Tokyo)
"Materials science researches by informatics techniques - atomic field extraction and odor component analysis -" - Prof. Atsushi TOGO (Kyoto Univ.)
"Software development of workflow engine to automate mixed computer simulations" - Prof. Tatsuya YOKOI (Nagoya Univ.)
"First-principles calculations of grain boundary structures and their properties" - Daisuke YOSHIDA (Academia Sinica)
"Chemistry of small carbon cluster anions and carbon hydride anions"