@article{lee2026agapi,title={AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org},author={Lee, Jaehyung and Ely, Justin and Zhang, Kent and Ajith, Akshaya and Campbell, Charles Rhys and Choudhary, Kamal},journal={The Journal of Physical Chemistry Letters},year={2026},publisher={American Chemical Society},doi={10.1021/acs.jpclett.6c00837},}
Preprint
RamanGPT: Bidirectional Mapping Between Crystal Structures and Raman Spectra with Graph Neural Networks and Generative Transformers
Frank M. Abel, Jaehyung Lee, Charles R. Campbell, and 1 more author
@article{abel2026ramangpt,title={RamanGPT: Bidirectional Mapping Between Crystal Structures and Raman Spectra with Graph Neural Networks and Generative Transformers},author={Abel, Frank M. and Lee, Jaehyung and Campbell, Charles R. and Choudhary, Kamal},journal={arXiv preprint arXiv:2606.03764},year={2026},}
Preprint
Lessons Learned from the 2025 Agentic AI for Science Hackathon
Jaehyung Lee, H. Neralla, Charles R. Campbell, and 6 more authors
@article{lee2026hackathon,title={Lessons Learned from the 2025 Agentic AI for Science Hackathon},author={Lee, Jaehyung and Neralla, H. and Campbell, Charles R. and Zhang, Kent and Ajith, Akshaya and Ely, Justin and Jiang, H. and Zhou, Z. and others},journal={ChemRxiv (under review, Mach. Learn.: Sci. Technol.)},year={2026},}
Preprint
From Photons to Electrons: Accelerated Materials Discovery via Random Libraries and Automated Scanning Transmission Electron Microscopy
Boris Slautin, Kamyar Barakati, Utkarsh Pratiush, and 10 more authors
@article{slautin2026photons,title={From Photons to Electrons: Accelerated Materials Discovery via Random Libraries and Automated Scanning Transmission Electron Microscopy},author={Slautin, Boris and Barakati, Kamyar and Pratiush, Utkarsh and Lowe, Christopher D. and Bodinger, Catherine C. and Cossairt, Brandi M. and Ahmadi, Mahshid and Houston, Austin and Bazhirov, Timur and Lee, Jaehyung and Choudhary, Kamal and Duscher, Gerd and Kalinin, Sergei},journal={arXiv preprint arXiv:2603.20858},year={2026},}
2025
Nano Futures
The search for high-entropy fuel-cell catalysts using disorder descriptors
Guangshuai Han, Tianhao Li, Xiao Xu, and 5 more authors
@article{han2025hea,title={The search for high-entropy fuel-cell catalysts using disorder descriptors},author={Han, Guangshuai and Li, Tianhao and Xu, Xiao and Lee, Jaehyung and Qiu, Guotao and Sequeira, Sabrina and Ajith, Akshaya and Oses, Corey},journal={Nano Futures},volume={9},number={4},pages={045001},year={2025},publisher={IOP Publishing},doi={10.1088/2399-1984/ae19b0},}