Symposia & Program

Creation and characterization of advanced materials through computer simulation


Prof. Masato Yoshiya Osaka University
Prof. Masato Yoshiya Osaka University
Dr. Craig A. J. Fisher Japan Fine Ceramics Center
Prof. Fumiyasu Oba Tokyo Institute of Technology
Prof. Tokuteru Uesugi Osaka Prefecture University
Prof. Yasushi Sasajima Ibaraki University
Prof. Takeo Kotani Tottori University
Dr. Masanori Kohyama National Institute of Advanced Industrial Science and Technology
Prof. Tomoyuki Tamura Nagoya Institute of Technology


Computational materials science is a dynamic and rapidly developing field now viewed as essential for the characterization and creation of new materials. In conjunction with high-resolution, high-precision experimental methods, computer simulation is facilitating a materials revolution by enabling complex systems to be analyzed and fabricated 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 bring together computational materials scientists to discuss the latest advances in this field, from developments in simulation methodologies such as quantum-mechanical calculations, classical molecular dynamics, dislocation dynamics, phase-field modeling, and multi-scale methods, to their use in studying a wide spectrum of materials phenomena, including, but not limited to, electrical and thermal conductivity, ferroelectricity, magnetism, catalysis, optics, grain growth and sintering, based on the influence of point defects, grain boundaries, dislocations, surfaces, and complex interfacial structures on functional and mechanical properties.


1. Computational Materials Science
2. Materials Design
3. Grain boundary/Interface/Surface/Dislocation/Point Defect
4. Functional Materials/Structural Materials
5. Methodology of electronic/atomistic simulation
6. Methodology of Microscopic Continuum Matter Model and Multiscale Simulation