#metal-organic frameworks
topicmetal-organic frameworks
2 papers · 1 filter
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…