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66 积分 2026-04-17 加入
Efficient battery electrolyte design for electric aircraft driven by physics-augmented AI
28天前
已完结
Element-dependent charge-supply and charge-transfer balance in oxide photocatalysts identified by high-throughput kinetic screening
28天前
已完结
A Data-Science Approach to Experimental Catalyst Discovery: Integrating Exploration, Exploitation, and Serendipity
29天前
已完结
Inverse molecular design using machine learning: Generative models for matter engineering
29天前
已完结
Quantifying uncertainty in catalyst activity and deactivation during CO2 hydrogenation via round-robin testing for data-driven modelling
1个月前
已完结
Molecular Representation Matters: Comparative Evaluation of Fingerprints, RDKit Descriptors, and Hashing Effects
1个月前
已完结
Integrated Machine Learning/FT-IR Framework for Efficient Solvent Composition Analysis in Carbon Capture
1个月前
已完结
Data-Driven Exploration of the Polyethylene Catalyst Chemical Space via Machine Learning
1个月前
已完结
Guiding generative models to uncover diverse and novel crystals via reinforcement learning
2个月前
已完结
Synthesis and Characterization of n-Doped Poly(benzodifurandione) (n-PBDF) Derivatives via Aromatic Substitution
2个月前
已完结