Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations

Masato Ohnishi, Tianqi Deng, Pol Torres, Zhihao Xu, Terumasa Tadano, Haoming Zhang, Wei Nong, Masatoshi Hanai, Zhiting Tian, Ming Hu, Xiulin Ruan, Ryo Yoshida, Toyotaro Suzumura, Lucas Lindsay, Alan J H McGaughey, Tengfei Luo, Kedar Hippalgaonkar, Junichiro Shiomi
April, 2025
Cite arXiv
Type
Preprint
Publication
arXiv [cond-mat.mtrl-sci]

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Terumasa Tadano
Terumasa Tadano
Researcher of Materials Science

My research interests include development of computational methods and softwares for predicting thermal properties of solids, and application of machine-learning methods to material science study