publications

2025

1. NeurIPSSpotlight

   High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction

   Seongsu Kim, Nayoung Kim, Dongwoo Kim, and Sungsoo Ahn

   Neural Information Processing Systems (NeurIPS) 2025

   PDF Code
2. NeurIPSPoster

   Flexible MOF Generation with Torsion-Aware Flow Matching

   Nayoung Kim, Seongsu Kim, and Sungsoo Ahn

   Neural Information Processing Systems (NeurIPS) 2025

   PDF
3. ICLRPoster

   MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks

   Nayoung Kim, Seongsu Kim, Minsu Kim, Jinkyoo Park, and Sungsoo Ahn

   International Conference on Learning Representations (ICLR) 2025

   PDF

2024

1. ICMLPoster

   Gaussian Plane-Wave Neural Operator for Electron Density Estimation

   Seongsu Kim, and Sungsoo Ahn

   International Conference on Machine Learning (ICML) 2024

   PDF Code Slides