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q-bio.BM2024★ 1 cited
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
Nayoung Kim, Seongsu Kim, Minsu Kim +2
Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce…
physics.chem-ph2024★ 1 cited
Gaussian Plane-Wave Neural Operator for Electron Density Estimation
Seongsu Kim, Sungsoo Ahn
This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this…