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58 积分 2025-12-20 加入
CaTS: Toward Scalable and Efficient Transition State Screening for Catalyst Discovery
5小时前
待确认
Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential
5小时前
已完结
Deep Learning Guided Exploration of Transition Metal Oxide Catalysts in Acetylene Selective Hydrogenation
1个月前
已完结
Developing machine learning for heterogeneous catalysis with experimental and computational data
1个月前
已完结
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation
1个月前
已完结
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