Fully automated high-throughput computer-based catalytic material screening framework and its application on the new-generation Tianhe supercomputer

Can Leng(National University of Defense Technology), Yi‐Ge Zhou(Hunan University), Zhuo Tang(Hunan University), Maosong Mo(University of Science and Technology of China), Chunye Gong(National University of Defense Technology), Wei‐Qing Huang(Hunan University), Kenli Li(Hunan University), Keqin Li(Hunan University of Science and Technology), Jie Liu(National University of Defense Technology), Bo Yang(ShanghaiTech University), Wangdong Yang(Hunan University), Xuguang Chen(National University of Defense Technology)
Computational Materials Science
February 23, 2025
Cited by 1


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