"AI/ML in High-performance Polymer Materials and Synthesis"

Abstract: There is a high interest in advanced polymer synthesis and fabrication. High-performance polymers, in particular, require well-defined structure-composition-processing-property (SCPP) relationships to optimize scale-up. This includes composites, nanocomposites, high-temperature thermoplastics, and hybrid materials. Artificial intelligence and machine learning (AI/ML) can optimize material synthesis routes and advanced manufacturing processes. From Bayesian optimization and statistical methods to neural network layers, we can develop effective algorithms and digital twins for additive manufacturing (AM) or 3D printing, as well as de novo synthesis. Large language models (LLMs) and continuous flow reaction chemistry will enable unit-operation optimization and autonomous machine learning with self-driving laboratories (SDL). In this talk, we describe how AI/ML in the 3D printing of nanocomposites and sensors enables faster optimization and discovery of new properties, including the development of new characterization methods. With AI/ML and SDLs, we can use ML-driven design for autonomous optimization in polymer synthesis.

Biography: Rigoberto Advincula is a Governor’s Chair Professor at Oak Ridge National Laboratory (ORNL) and the University of Tennessee. He is also a Group Leader at the Center for Nanophase Materials Sciences (CNMS), ORNL. His areas of expertise include organic and polymer chemistry, nanomaterials, coatings, flow chemistry and reaction engineering, additive manufacturing, and biomaterials. He has led major projects, including a machine learning (ML)-driven autonomous self-driving lab at ORNL and advanced nanocomposite manufacturing with the DOE. He is a Fellow of the National Academy of Inventors (NAI), Fellow of the American Chemical Society (ACS), Fellow of the Polymer Science and Engineering Division (ACS), Fellow of the Polymer Chemistry Division (ACS), Fellow of the Materials Research Society (MRS), Fellow of the Royal Society of Chemistry (RSC), Fellow of the American Institute for Medical and Biological Engineering (AIMBE), and Netzsch 2023 Fellow of the North American Thermal Analysis Society (NATAS). In 2024, he received the International Prize of the Society of Polymer Science of Japan (SPSJ). He recently received the 2026 George Stafford Whitby Award from the ACS Rubber Division. He has been appointed to the World Economic Forum Advanced Materials Council. He is a member of the Board on Chemical Sciences and Technology (BCST) of the National Academies of Sciences, Engineering, and Medicine (NASEM). He has held several visiting Professor positions, including at Waseda University in Japan and the Max Planck Institute for Polymers (MPI-P) in Germany. He earned his Ph.D. in Chemistry from the University of Florida and held postdoctoral positions at MPI-P and Stanford University. He is passionate about mentoring students and establishing interdisciplinary STEM programs.