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cond-mat.mtrl-sci2025★ 13 cited
The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
Chenru Duan, Aditya Nandy, Shyam Chand Pal +17
Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laboriou…
cond-mat.mtrl-sci2025★ 2 cited
MOFSimBench: Evaluating Universal Machine Learning Interatomic Potentials In Metal--Organic Framework Molecular Modeling
Hendrik Kraß, Ju Huang, Seyed Mohamad Moosavi
Universal machine learning interatomic potentials (uMLIPs) have emerged as powerful tools for accelerating atomistic simulations, offering scalable and efficient modeling with accu…