Prof. Arthi Jayaraman
Professor, University of Delaware – Newark
Title:
Machine learning based analyses and interpretation of structural characterization data from soft materials
Abstract:
My research group’s expertise lies in the development of physics-based molecular models and simulation methods as well as data-driven machine learning models for designing and characterizing soft macromolecular materials. In the past few years we have devoted significant efforts towards the development of machine learning based computational methods to accelerate and automate interpretation of structural characterization data from scattering and microscopy techniques. In this talk, I will highlight a few examples to showcase our recent work (e.g., CREASE [1-3], PairVAE [4], microscopy analyses [5,6]). I will describe the key features of these methods and how we use them on experimental data shared by our collaborators to establish structure-property relationships for a broad range of soft materials.
Users interested in the open-source codes can access them here: https://github.com/arthijayaraman-lab
References
[1] C. M. Heil et al., ACS Central Science 8, 7, 996-1007 (2022).
[2] C. M. Heil et al., JACS Au 3, 3, 889–904 (2023).
[3] S.V.R. Akepati et al., JACS Au 4, 4, 1570–1582 (2024).
[4] S. Lu and A. Jayaraman, JACS Au 3, 9, 2510–2521 (2023).
[5] A. Paruchuri et al., Digital Discovery, 3, 2533-2550 (2024)
[6] S. Lu and A. Jayaraman, Progress in Polymer Science 153, 101828 (2024)
Bio:
Arthi Jayaraman is currently a full professor in the Departments of Chemical and Biomolecular Engineering and Materials Science and Engineering at the University of Delaware (UD), Newark. She is also the director for an NSF-funded NRT graduate traineeship program on ‘Computing and Data Science Training for Materials Innovation, Discovery, and Analytics’. She currently serves as associate editor for Macromolecules and also served as the inaugural deputy editor for the first three years of ACS Polymers Au.
Jayaraman received her Ph.D. in Chemical Engineering from North Carolina State University and conducted her postdoctoral research in Materials Science and Engineering at the University of Illinois-Urbana Champaign. After holding the position of Patten Assistant Professor in the Department of Chemical and Biological Engineering at University of Colorado (CU) at Boulder, in 2014 she joined the faculty at UD. Her research expertise is in the development and application of computational techniques to study polymer nanocomposites, blends, solutions, and biomaterials.
She has received the following honors: Prof. R. Kumar Distinguished Visitor Award (2025) at IISC, Bangalore, the American Chemical Society (ACS) PMSE Fellowship (2024), UD College of Engineering Faculty Award for Excellence in Teaching (2023), AIChE COMSEF Impact Award (2021), American Physical Society (APS) Fellowship (2020), Dudley Saville Lectureship at Princeton University (2016), ACS PMSE Young Investigator (2014), AIChE COMSEF division Young Investigator Award (2013), CU Provost Faculty Achievement Award (2013), Department of Energy (DOE) Early Career Research Award (2010), and CU Department of Chemical and Biological Engineering’s outstanding undergraduate teaching award (2011) and graduate teaching award (2014).