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Collaborative neural networks-accelerated prediction of transition state energy barriers for CO catalytic oxidation
9小时前
待确认
Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks
9小时前
待确认
HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions
9小时前
已完结
Advancements in Machine Learning Predicting Activation and Gibbs Free Energies in Chemical Reactions
9小时前
待确认
Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential
9小时前
已完结
General reactive element-based machine learning potentials for heterogeneous catalysis
8天前
已完结
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