Scope of the Symposium
This symposium is to provide a forum for discussing all the important issues in computational condensed matter physics and materials science. The principal purpose of the symposium is to offer an opportunity for exchanging ideas and enjoying in-depth discussion in both methodology in computational physics and chemistry and its application to materials.
Current high performance computing utilizes various architectures such as multi-core massively-parallel nodes or sytem-on-a-chip (SOC) accelerators, and now supercomputers with its performance more than 10 PFLOPS machines are available (Sequoia and K). Such supercomputers, however, are already monsters to materials scientists. Collaboration with computer scientists to introduce new algorithms and even new mathematical schemes is imperative in computational science. We call this new stage of computational materials science in this century computics.
One of the purposes of this symposium is thus to facilitate successful collaboration between computational science and computer science thorough discussions on the important issues in materials science. Additionally, we hope to promote constructive discussion and collaborations between material designers (i.e., computational scientists) and experimental scientists by addressing specific individual issues in realizing new functional materials.
Topics to be discussed in the symposium include, but not limited to:
- Developments and applications of density functional theory
- Developments and applications of first-principles-based schemes to strongly-correlated systems
- Developments and applications of the first-principles-based schemes to superconductivity
- Developments and applications of the first-principles-based schemes to excited systems
- Car-Parrinello molecular dynamics and related approaches
- Free-energy exploration in reactions in materials
- Non-equilibrium dynamics and Thermal physics
- Electron transport in nano-scale structures
- Ultra-fast dynamics
- Quantum effects of proton and muon in materials
- Bioscience through multi-scale simulations
- New algorithms for next generation architectures
- New mathematical schemes in materials science
- Computational materials design through advanced simulations
- Materials exploration in next-generation electronics and spintronics
The symposium is organized by a consortium, Scientific Research on Innovative Areas, a MEXT Grant-in-Aid Project (FY2010-204) "Materials Design through Computics: Complex Correlation and Non-equilibrium Dynamics" (http://computics-material.jp/index-e.html ), and by a consortium, Computational Materials Science Initiative (CMSI) (http://www.cms-initiative.jp/en ).