Ock, Janghoon

Modular large language model agents for multi-task computational materials science

Chaudhari, A., Ock, J., & Barati Farimani, A. (2026) · Communications Materials

Machine Learning in Materials ScienceArtificial Intelligence Applications

Cited by 19

Large Language Model Agent for Modular Task Execution in Drug Discovery

Ock, J., Meda, R. S., Badrinarayanan, S., Aluru, N. S., Chandrasekhar, A., & Barati Farimani, A. (2026) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 5

Adsorb-Agent: autonomous identification of stable adsorption configurations via a large language model agent

Ock, J., Meda, R. S., Vinchurkar, T., Jadhav, Y., & Barati Farimani, A. (2026) · Digital Discovery

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 3