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60 积分 2025-10-23 加入
Tuning the local coordination environment of single-atom catalysts for enhanced electrocatalytic activity
29天前
已完结
Thermodynamics-Guided Machine Learning Framework with a Multiobjective Optimizer for Catalyst Discovery
1个月前
已完结
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
1个月前
已完结
Small-Molecule Adsorption Energy Predictions for High-Throughput Screening of Electrocatalysts
1个月前
已完结
Single-Atom Catalysts for the Hydrogen Evolution Reaction
1个月前
已完结
High-entropy single-atomic sites anchored on macroporous carbon nanofibers for oxygen electrocatalysis and sustainable Zn-air batteries
2个月前
已完结
Single Transition Metal Atom Catalyst for a High-Performance Li–S Battery with a Graphdiyne–Graphene Heterostructure Host: A DFT Investigation + ML Predictions
2个月前
已完结
Synergizing Machine Learning with High-Throughput DFT to Design Efficient Single-Atom Catalysts for Hydrogen Evolution Reaction
2个月前
已完结
Data-Driven Discovery of Graphene-Based Dual-Atom Catalysts for Hydrogen Evolution Reaction with Graph Neural Network and DFT Calculations
3个月前
已完结
Machine learning-guided discovery of thermodynamically stable single-atom catalysts on functionalized MXenes for enhanced oxygen reduction and evolution reactions
3个月前
已完结
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