Ozaki Lab.

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It may be possible to explore properties of materials by computational reseaches before actual experiments. I would imagine that one can't help wonder how it can be possible. In principle such a material design can be possible by deciphering a kind of abstruse design drawing based on first-principles quantum mechanics. The design drawing must tell us how atoms being about 100 kinds of elements should be arranged geometrically to realize materials having desired properties. However, it would be difficult to decipher the design drawing. Thus, we have been trying to decipher it by employing massively parallel computers as typified by the K-computer.

The field, computational materials science, has been developing in accordance with development of supercomputers. The history is only a half century, and thereby the future development still awaits challenge by young motivated and talented students and researchers. Furthermore, the computational materials science can be an fascinating research topic by virtue of the fact that many of fields such as physics, chemistry, biology, applied mathematics, and computer science have to be intimately integrated as an interdisciplinary field. I wonder that the feature may attract young people who want to pursue a research field. I would like to sincerely welcome such young students and researchers.