Harb, Hassan https://orcid.org/0000-0002-6016-3122
Sun, Yunkai https://orcid.org/0000-0001-8044-4936
Unal, Mustafa https://orcid.org/0000-0001-5829-4724
Chia, Nicholas https://orcid.org/0009-0000-2530-8181
Yang, Zhenzhen https://orcid.org/0000-0002-1073-3799
Ingram, Brian https://orcid.org/0000-0002-5219-7517
Assary, Rajeev Surendran https://orcid.org/0000-0002-9571-3307
Funding for this research was provided by:
Laboratory Directed Research and Development
U.S. Department of Energy, Office of Science Energy Earthshot TM Initiative
Argonne National Laboratory (DE-AC02-06CH11357)
Article Title: The ballad of LLM agents: philosophical reasoning for chemistry
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2026 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2026-04-09
Date Accepted: 2026-06-05
Online publication date: 2026-06-17