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Tsuyoshi Miyazaki

Researcher at National Institute for Materials Science

Publications -  115
Citations -  3412

Tsuyoshi Miyazaki is an academic researcher from National Institute for Materials Science. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 26, co-authored 110 publications receiving 2892 citations. Previous affiliations of Tsuyoshi Miyazaki include Tokyo University of Science & University of Tokyo.

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Machine Learning for Atomic Forces in a Crystalline Solid: Transferability to Various Temperatures

TL;DR: A machine-learning model is trained on a crystalline silicon system to directly predict the atomic forces at a wide range of temperatures using a quantum-mechanical dataset taken from canonical-ensemble simulations at a higher temperature, or an upper bound of the temperature range.

Large-scale ab initio calculations

TL;DR: The CONQUESTcode as discussed by the authors is based on the strategy of minimizing the total energy with respect to the Kohn-Sham density matrix, and the practical techniques for implementing this strategy are outlined.