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A practical guide to machine learning interatomic potentials – Status and future
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Machine learning in electrocatalytic ammonia synthesis: A mini review on catalyst discovery and optimization
3小时前
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Machine learning assisted screening of nitrogen-doped graphene-based dual-atom hydrogen evolution electrocatalysts
5天前
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Toward Excellence of Electrocatalyst Design by Emerging Descriptor‐Oriented Machine Learning
5天前
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Generative Active Learning Discovers High-Performance O 2 Reduction Catalysts for H 2 O 2 Production
9天前
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Prediction of oxygen adsorption energy on TiZrNbMoAl high-entropy alloys: DFT and machine learning
10天前
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Heteroatom-doped M-N4-C Single-atom catalysts towards electrochemical reactions of CO2: A machine learning-assisted DFT study
10天前
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Dynamics and kinetics exploration of the oxygen reduction reaction at the Fe–N4/C–water interface accelerated by a machine learning force field
12天前
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Machine learning assisted study of the transition metal phosphides catalyst for the water electrolysis to produce hydrogen
12天前
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Modeling-Making-Modulating High-Entropy Alloy with Activated Water-Dissociation Centers for Superior Electrocatalysis
14天前
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