Lv4
580 积分 2023-09-15 加入
Machine learning assisted screening of doped metals phosphides electrocatalyst towards efficient hydrogen evolution reaction
3天前
已完结
Comparative simulations of CO2 adsorption on diverse carbon materials via machine learning-based molecular dynamics
4天前
已完结
Collectivity effect in cluster catalysis under operational conditions
15天前
已完结
Accelerating Catalytic Reaction Network Exploration via Local Fine-tuning with Universal Machine Learning Interatomic Potentials
1个月前
已完结
Janus‐Architected HEA‐Mo 2 C Heterophase Catalysts with Self‐Optimizing Interfaces for Efficient Alkaline Seawater Electrooxidation
1个月前
已完结
Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts
1个月前
已完结
Machine Learning‐Assisted Design of Nitrogen‐Rich Covalent Triazine Frameworks Photocatalysts
1个月前
已完结
Machine learning for design principles for single atom catalysts towards electrochemical reactions
1个月前
已完结
Unraveling the synergy of nanotube curvature and axial coordination in MN4-CNTs for enhanced bifunctional oxygen electrocatalysis from first-principles and machine-learning insights
1个月前
已完结
Density Functional Theory Studies of Doping and Curvature Effects on the Electrocatalytic Hydrogen Evolution Activity of Carbon Nanotubes
1个月前
已完结
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