机器学习与分子模拟协同的CH
4/H
2分离金属有机框架高通量计算筛选
王诗慧, 薛小雨, 程敏, 陈少臣, 刘冲, 周利, 毕可鑫, 吉旭
High-Throughput Computational Screening of Metal-Organic Frameworks for CH
4/H
2 Separation by Synergizing Machine Learning and Molecular Simulation
Shihui Wang, Xiaoyu Xue, Min Cheng, Shaochen Chen, Chong Liu, Li Zhou, Kexin Bi, Xu Ji
化学学报
.
2022, (5): 614
-624
.
DOI: 10.6023/A22010031
