Publications

2024

  • “Using the Cloud to study the impact of post-translational modifications of proteins and their complexes.” D Mejia-Rodriguez, H. Kim, M.S. Cheung-Wyker. APS Global Physics Summit 2025.
  • Kestor G., Z. Peng, O.M. Bel, R. Gioiosa, M.D. Baer, and S. Raugei. 11/22/2024. “RedoxAI: Generative AI for Efficient Prediction of Protein Redox Potentials.” Abstract submitted to TPC workshop, Atlanta, Georgia. PNNL-SA-203092.
  • “Advancing Data Intensive Computing via Data Compression/Reduction at Extreme-Scale,” Luanzheng Guo and Nathan Tallent, DOE Data Days Workshop 2024, Lawrence Livermore National Laboratory, California. PNNL-SA-201319.
  • Liu, H., Ji, H., & Choudhury, S. (2024). “ChemReasoner: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback.” In Proceedings of the 41st International Conference on Machine Learning 235: 46351–46374.

Research topics

Artificial Intelligence
Data Science & Computing