Computational Materials Science - Ohno, Kaoru

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Résumé :
There has been much progress in the computational approaches in the field of materials science during the past two decades. In particular, computer simula? tion has become a very important tool in this field since it is a bridge between theory, which is often limited by its oversimplified models, and experiment, which is limited by the physical parameters. Computer simulation, on the other hand, can partially fulfill both of these paradigms, since it is based on theories and is in fact performing experiment but under any arbitrary, even unphysical, conditions. This progress is indebted to advances in computational physics and chem? istry. Ab initio methods are being used widely and frequently in order to determine the electronic and/or atomic structures of different materials. The ultimate goal is to be able to predict various properties of a material just from its atomic coordinates, and also, in some cases, to even predict the sta? ble atomic positions of a given material. However, at present, the applications of ab initio methods are severely limited with respect to the number of par? ticles and the time scale of dynamical simulation. This is one extreme of the methodology based on very accurate electronic-level calculations.

Biographie:
Dr. Kawazoe is a Professor and Professor Emeritus in New Industry Creation Hatchery Center, Tohoku University, Sendai, Japan. He is the author of over 1,000 ISI journal papers with more than 20,000 citations (h-index 63), over 50 books (including editing), and 10 patents on wide range in science and engineering, mainly computational materials science. Professor Kawazoe is the founder of ACCMS (Asian Consortium on Computational Materials Science) with the history of 20 years, and has served hard/soft computer resources to researchers in developing countries. He also contributed to start Japan Nano-Science and -Engineering Society 15 years ago and was the President. These societies are now matured and spread out attracting more members. He was a Mega-grant Leader (1 Million US$/year) in Russian Academy of Science from 2012 to 2015 on gas hydrate research. He holds a number of positions in Japan and worldwide...

Sommaire:
Dr. Kawazoe is a Professor and Professor Emeritus in New Industry Creation Hatchery Center, Tohoku University, Sendai, Japan. He is the author of over 1,000 ISI journal papers with more than 20,000 citations (h-index 63), over 50 books (including editing), and 10 patents on wide range in science and engineering, mainly computational materials science. Professor Kawazoe is the founder of ACCMS (Asian Consortium on Computational Materials Science) with the history of 20 years, and has served hard/soft computer resources to researchers in developing countries. He also contributed to start Japan Nano-Science and -Engineering Society 15 years ago and was the President. These societies are now matured and spread out attracting more members. He was a Mega-grant Leader (1 Million US$/year) in Russian Academy of Science from 2012 to 2015 on gas hydrate research. He holds a number of positions in Japan and worldwide...