【論文】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

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

arXiv:2504.21245
DOI: https://doi.org/10.48550/arXiv.2504.21245