English

Agentic AI and Machine Learning for Accelerated Materials Discovery and Applications

Materials Science 2026-01-16 v2

Abstract

Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and beyond polymer materials and discovery chemistry. More specifically, the focus is on the need for efficient discovery, core concepts, and large language models. Consequently, applications are showcased in scenarios such as (1) flow chemistry, (2) biosensors, and (3) batteries.

Keywords

Cite

@article{arxiv.2601.09027,
  title  = {Agentic AI and Machine Learning for Accelerated Materials Discovery and Applications},
  author = {Jihua Chen and Panagiotis Christakopoulos and Karuna D. Chen and Ilia N. Ivanov and Rigoberto Advincula},
  journal= {arXiv preprint arXiv:2601.09027},
  year   = {2026}
}

Comments

36 pages, 4 figures, and 4 tables

R2 v1 2026-07-01T09:03:36.097Z