Nayoung Kim

Publications

2026

Preprint

CatFlow: Co-generation of Slab-Adsorbate Systems via Flow Matching

Minkyu Kim, Nayoung Kim, Honghui Kim, Sungsoo Ahn

arXiv preprint, 2026

arXiv Code

Preprint

AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction

Nayoung Kim, Honghui Kim, Sihyun Yu, Minkyu Kim, Seongsu Kim, Sungsoo Ahn

arXiv preprint, 2026

arXiv Code

Machine Learning Hamiltonians paper thumbnail

Preprint

Machine Learning Hamiltonians are Accurate Energy-Force Predictors

Seongsu Kim, Chanhui Lee, Yoonho Kim, Seongjun Yun, Honghui Kim, Nayoung Kim, Changyoung Park, Sehui Han, Sungbin Lim, Sungsoo Ahn

arXiv preprint, 2026

arXiv Code

2025

Poster

Flexible MOF Generation with Torsion-Aware Flow Matching

Nayoung Kim, Seongsu Kim, Sungsoo Ahn

Neural Information Processing Systems (NeurIPS), 2025

arXiv Code

@inproceedings{kim2025flexible, title={Flexible MOF Generation with Torsion-Aware Flow Matching}, author={Kim, Nayoung and Kim, Seongsu and Ahn, Sungsoo}, booktitle={Advances in Neural Information Processing Systems}, year={2025}, url={https://openreview.net/forum?id=cLJfumTWLI} }

Spotlight

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

Seongsu Kim, Nayoung Kim, Dongwoo Kim, Sungsoo Ahn

Neural Information Processing Systems (NeurIPS), 2025

arXiv Code

@inproceedings{kim2025high, title={High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction}, author={Kim, Seongsu and Kim, Nayoung and Kim, Dongwoo and Ahn, Sungsoo}, booktitle={Advances in Neural Information Processing Systems}, year={2025} }

Poster

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

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

International Conference on Learning Representations (ICLR), 2025

arXiv Code

@inproceedings{kim2024mofflow, title={MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks}, author={Kim, Nayoung and Kim, Seongsu and Kim, Minsu and Park, Jinkyoo and Ahn, Sungsoo}, booktitle={The Thirteenth International Conference on Learning Representations}, year={2025}, url={https://openreview.net/forum?id=dNT3abOsLo} }

Poster

Decoupled Sequence and Structure Generation for Realistic Antibody Design

Nayoung Kim, Minsu Kim, Sungsoo Ahn, Jinkyoo Park

Transactions on Machine Learning Research (TMLR), 2025

arXiv Code

@article{kim2025decoupled, title={Decoupled Sequence and Structure Generation for Realistic Antibody Design}, author={Kim, Nayoung and Kim, Minsu and Ahn, Sungsoo and Park, Jinkyoo}, journal={Transactions on Machine Learning Research}, year={2025} }

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Publications

2026

2025

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