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84 积分 2025-09-27 加入
Accelerating Data Set Population for Training Machine Learning Potentials with Automated System Generation and Strategic Sampling
1个月前
已完结
Bridging Nanostructure Growth and Gas-Sensing Kinetics in Metal-Functionalized Graphene Using Machine-Learned Molecular Dynamics
1个月前
已完结
A Machine Learning Interatomic Potential Data Set and Model for Catalysis with Local Fine-Tuning to Chemical Accuracy
1个月前
已完结
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
2个月前
已完结
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2个月前
已完结
Uncertainty Based Machine Learning-DFT Hybrid Framework for Accelerating Geometry Optimization
2个月前
已关闭
Uncertainty Based Machine Learning-DFT Hybrid Framework for Accelerating Geometry Optimization
2个月前
已完结
Machine learning-driven interface material design for high-performance perovskite solar cells with scalability and band-gap universality
3个月前
已完结
AIMATDESIGN: knowledge-augmented reinforcement learning for inverse materials design under data scarcity
3个月前
已完结
Accelerated discovery of OER catalysts in Pnma perovskites via machine learning with minimal DFT structure relaxation
3个月前
已关闭
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