Artificial intelligence/machine learning of polymer materials and discovery chemistry
Artificial intelligence (AI) and machine learning (ML) approaches are increasingly applied to various science and engineering areas to innovate with enhanced efficiencies and productivity. This article discusses some of the progress in polymer materials and discovery chemistry facilitated by AI/ML, with a focus on (1) AI/ML for polymers and chemistry, (2) polymerization methods and flow chemistry, (3) three-dimensional printing and AI/ML, (4) self-driving laboratories and workflows, (5) large language models and algorithms, and (6) simulations. AI is playing critical roles for discovery chemistry, including polymer materials
Authors
- Rama Krishnan Vasudevan (ORCID: https://orcid.org/0000-0003-4692-8579)
- Bobby G. Sumpter (ORCID: https://orcid.org/0000-0001-6341-0355)
- Jihua Chen (ORCID: https://orcid.org/0000-0001-6879-5936)
- Panagiotis Christakopoulos (ORCID: https://orcid.org/0009-0004-0871-2528)
- Rajeev Kumar (ORCID: https://orcid.org/0000-0001-9494-3488)
- Ilia N. Ivanov (ORCID: https://orcid.org/0000-0002-6726-2502)
- Rigoberto C. Advincula (ORCID: https://orcid.org/0000-0002-0856-202X)
Institutions
- Oak Ridge National Laboratory (US)
- Knoxville College (US)
- University of Tennessee at Knoxville (US)
Publication Details
- Journal
- MRS Bulletin
- Published
- 2025-11-01
- DOI
- https://doi.org/10.1557/s43577-025-00986-9
- Citations
- 1
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.52