Lv4
738 积分 2024-09-19 加入
Thermodynamically Consistent Machine Learning Potentials for Constant-Potential Simulations
58分钟前
待确认
Accelerated Screening of Dual-Atom-Doped Copper Electrocatalysts for CO2-to-C2+ Conversion via a Density Functional Theory-Guided Ten-Feature Interpretable Machine Learning Strategy
58分钟前
待确认
Machine Learning for Transition-Metal-Based Hydrogen Generation Electrocatalysts
59分钟前
待确认
Reaction-Condition- and Ensemble-Aware Screening of Dual-Atom ORR Catalysts via Physics-Informed Machine Learning
59分钟前
待确认
First-principles determination of spin–orbit coupling parameters in two-dimensional materials
6个月前
已完结
Accelerating Catalytic Reaction Network Exploration via Local Fine-tuning with Universal Machine Learning Interatomic Potentials
6个月前
已完结
Catalytic Role of Adsorption of Electrolyte/Molecules as Functional Ligands on Two-Dimensional TM-N4 Monolayer Catalysts for the Electrocatalytic Nitrogen Reduction Reaction
7个月前
已完结
Machine-learning-assisted high-throughput screening for accelerating the discovery of diatomic catalysts in N 2 electroreduction
7个月前
已完结
Controlling Selectivity for Efficient Nitrogen Photo‐Fixation Over Hydrogen Evolution using Anthracene‐Containing D–A Conjugated Polymers
7个月前
已完结
Dual Doping of B and Fe Activated Lattice Oxygen Participation for Enhanced Oxygen Evolution Reaction Activity in Alkaline Freshwater and Seawater
9个月前
已完结
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