publications

2025

1. 

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

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

   Preprint 2025

   PDF
2. 

   Flexible MOF Generation with Torsion-Aware Flow Matching

   Nayoung Kim, Seongsu Kim, and Sungsoo Ahn

   Preprint 2025

   PDF
3. 

   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. 

   Gaussian Plane-Wave Neural Operator for Electron Density Estimation

   Seongsu Kim, and Sungsoo Ahn

   International Conference on Machine Learning (ICML) 2024

   PDF Code Slides