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►【凝聚态理论与材料计算实验室学术报告 Talk-1】
Time: 9:30-10:30, 22nd
Venue: Room 253, Building M
Basics and limitations in computational materials design
Prof. Yoshiyuki KAWAZOE, Tohoku University, Japan
Professor Kawazoe is a Senior Research Fellow and Professor Emeritus in New Industry Creation Hatchery Center, Tohoku University, Sendai, Japan. He also has his position in SRM Institute of Science and Technology, Chennai, India as an A. P. J. Abudl Kalam Distinguished Professor. He is the author of over 1,000 ISI journal papers with more than 20,000 citations (h-index 65), over 50 books, and 10 patents.
In the lecture, the basic concept of the computational materials design with the limitations is introduced. To understand correctly the reason of the system stability based on the virial theorem, physical/chemical properteies are possible to be understood correctly and easily. Based on these fundamentals, we can perform computational materials design with confidence.