Symposium D-10: "Computational Materials Science and Materials Design & Processing"

Scope
Computer simulations are now always emphasized in the field of materials development and research. Computer aided material design is the important target in this field. A great development of computational schemes for various materials from crystal to amorphous, from metal/ceramics to softmatters, has been made in these days. They are not only for conventional electronic state and molecular dynamics calculations but also for transport properties such as quantum conductance, meso-scale calculations such as phase-field method, and so on. Recent nanotechnology related topics of nanotubes, nano-structures, nano-fabrications, etc., are main subjects in the simulation field.
Chairpersons in this symposium have had various workshops/symposiums on simulation/modeling of advanced materials so far. We would like to discuss computations from various aspects. In this symposium, therefore, presentations of various calculation schemes and results for various materials and processes are welcome.
Joint session with Symposium D-9 "Multiscale Design of Nano-materials" will be held.

Topics
* Schemes: Band calculation, Molecular orbital calculation, Ab-initio/Classical Molecular Dynamics, Monte Carlo, Finite Element Method, Phase-Field Method, Thermodynamic Phase Calculation, Green's Function, Many Body Theorem, etc.
* Properties: Electronic, Magnetic, Optical, Chemical, Mechanical, and Thermal Properties; Transport, Spintronics, Spectroscopy, Catalysis, Phase Diagrams, etc.
* Structures: Solids, Amorphous, Liquids, Defects, Surface and Interfaces, Nanostructures, etc.
* Processes: Nucleation, Crystal Growth, Self-Organization, Phase Transition, Deposition, Fabrication, etc.
* Materials: Semiconductors, Metals, Ceramics, Soft Matters, Polymers, Organic Materials, Bio Materials, Fullerenes, Nanotubes, Small Particles and Clusters, Advanced and Future Materials, etc.
* Observations: TEM, STM, AFM, EELS, etc.

Invited Speakers
Prof. Daan Frenkel (tentative), FOM Institute for Atomic and Molecular Physics (The Netherlands)
He will give a plenary lecture on simulation of softmatters and related topics.
Prof. Long-Qing Chen, The Pennsylvania State University (U.S.A.)
He will give a plenary lecture on Phase-Field method and related topics.
Prof. Kazuyuki Watanabe, Tokyo University of Science (Japan)
"Time-Dependent Density Functional Calculations of Field Emission from Carbon"
Prof. Enge G. Wang, Chinese Academy of Sciences (China)
"Evolution of Nanostructures on Surface"

Chairpersons
Prof. Yoshiyuki Kawazoe¹⁾
Institute for Materials Research, Tohoku University.
E-mail: kawazoe@imr.edu
Dr. Tamio Ikeshoji²⁾
Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology (AIST).
E-mail: t.ikeshoji@aist.go.jp
Dr. Masanori Kohyama
Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST).
E-mail: m-kohyama@aist.go.jp
Prof. Satoshi Watanabe
Department of Materials Engineering, University of Tokyo.
E-mail: watanabe@cello.mm.t.u-tokyo.ac.jp
Prof. Isao Tanaka
Department of Materials Science and Engineering, Kyoto University.
E-mail: tanaka@cms.mtl.kyoto-u.ac.jp
Dr. Toshiyuki Koyama
Computational Materials Science Center, National Institute for Materials Science (NIMS).
E-mail: KOYAMA.Toshiyuki@nims.go.jp
Prof. Kaoru Ohno
Department of Physics, Yokohama National University.
E-mail: ohno@ynu.ac.jp
Dr. Makoto Yoneya
Yokoyama Nano-Structured Liquid Crystal Project, Exploratory Research for Advanced Technology (ERATO)
E-mail: yoneya@nanolc.jst.go.jp
Prof. Koichi Kakimoto
Research Institute for Applied Mechanics, Kyushu University.
E-mail: kakimoto@riam.kyushu-u.ac.jp