metal-organic frameworks 2photocatalysis 2reinforcement learning 2machine learning 1materials design 1materials discovery 1multi-objective optimization 1
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cond-mat.mtrl-sci2026
Machine Learning for Designing Undesignable Metal-Organic Frameworks
Satya Kokonda
The paper presents a reinforcement‑learning framework that generates and screens thousands of novel metal‑organic frameworks (MOFs) for photocatalytic CO/H₂O selectivity, using cry…
cond-mat.mtrl-sci2026★ 1 cited
MatCreatioNN: Machine learning-guided computational discovery of photocatalysts for environmental applications
Satya Kokonda
The paper presents a machine‑learning workflow that combines reinforcement‑learning generation of metal‑organic frameworks with a crystal‑graph convolutional neural network to pred…