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; Zeyu Wang; Michimasa Morita; Zhiting Tian; Ming Hu; Xiulin Ruan; Ryo Yoshida; Toyotaro Suzumura; Lucas Lindsay; Alan J. H. McGaughey; Tengfei Luo; Kedar Hippalgaonkar; Junichiro Shiomi; Masato Ohnishi; Tianqi Deng; Pol Torres; Zhihao Xu; Terumasa Tadano; Haoming Zhang; Wei Nong; Masatoshi Hanai; Zeyu Wang; Michimasa Morita; Zhiting Tian; Ming Hu; Xiulin Ruan; Ryo Yoshida; Toyotaro Suzumura; Lucas Lindsay; Alan J. H. McGaughey; Tengfei Luo; Kedar Hippalgaonkar; Junichiro Shiomi

doi:10.1038/s41524-026-02033-w

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, Zeyu Wang, Michimasa Morita, Zhiting Tian, Ming Hu, Xiulin Ruan, Ryo Yoshida, Toyotaro Suzumura, Lucas Lindsay, Alan J. H. McGaughey, Tengfei Luo, Kedar Hippalgaonkar, Junichiro Shiomi.

npj Computational Materials 12 [1] 150. 2026.

https://doi.org/10.1038/s41524-026-02033-w

Open Access Springer Science and Business Media LLC (Publisher) Materials Data Repository (MDR)

NIMS author(s)

TADANO, Terumasa

Fulltext and dataset(s) on Materials Data Repository (MDR)

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

Created at: 2026-04-16 03:05:45 +0900 Updated at: 2026-10-23 04:30:46 +0900