Skip to main content

Organized by the University of Chicago’s Eric and Wendy Schmidt AI in Science Postdoctoral Fellowship Program.

NEW Meeting location
Searle Chemistry Laboratory, room 240A
5735 S Ellis Avenue, Chicago, IL 60637
Map It

4:30pm – 5:15pm: Presentation
5:15pm – 5:30pm: Q&A
5:30pm – 6:00pm: Reception

Abstract: My research group’s expertise lies in the development of molecular models and simulation methods as well as data-driven (machine learning) models for designing and characterizing soft macromolecular materials.  In this talk, I will highlight data-driven approaches that we have developed (CREASE [1,2], PairVAE [3])  to interpret structural characterization results from small angle scattering and electron microscopy. I will also share one recent study [4] using such methods to establish design-structure-property relationships in soft materials.

Relevant Papers

  1. Christian M. Heil, Anvay Patil, Ali Dhinojwala, and Arthi Jayaraman* Computational Reverse-Engineering Analysis for Scattering Experiments (CREASE) with Machine Learning Enhancement to Determine Structure of Nanoparticle Mixtures and Solutions, ACS Central Science (2022), 8, 7, 996-1007
  2. M. Heil, Y. Ma, Bhuvanesh Bharti, Arthi Jayaraman*, Computational Reverse-Engineering Analysis for Scattering Experiments for Form Factor and Structure Factor Determination (‘P(q) and S(q) CREASE’), JACS Au (2023) 3, 3, 889–904
  3. Lu and A. Jayaraman*, Pair-Variational Autoencoders (PairVAE) for Linking and Cross-Reconstruction of Characterization Data from Complementary Structural Characterization Techniques, JACS Au (2023) in press
  4. M. Heil, A. Patil, B. Vanthournout, S. Singla, M. Bleuel, J-J. Song, Z. Hu, N. Gianneschi, M. Shawkey, S. Sinha, A. Dhinojwala*, A. Jayaraman*, Mechanism of Structural Colors in Binary Mixtures of Colloidal Nanoparticle-based Supraballs, Science Advances (2023) 9, 21, 10.1126/sciadv.adf2859

Arthi Jayaraman, Centennial Term Professor for Excellence in Research and Education, University of Delaware. Professor Arthi Jayaraman received her B.E (Honors) degree in Chemical Engineering from Birla Institute of Technology and Science, Pilani, India in 2000. She received her Ph.D. in Chemical and Biomolecular Engineering from North Carolina State University in 2006, and from 2006-2008 conducted her postdoctoral research in the department of Materials Science and Engineering at University of Illinois-Urbana Champaign. In August 2008, she joined the faculty of the Department of Chemical and Biological Engineering at University of Colorado at Boulder, and held the position of Patten Assistant Professor. In August 2014, she joined the faculty at the University of Delaware as Associate professor of Chemical and Biomolecular Engineering and Materials Science and Engineering. Her research expertise lies in development of theory and simulation techniques and application of these techniques to study polymer functionalized nanoparticles and polymer nanocomposites, and to design macromolecular materials for biomedical applications. Her research has been recognized with the APS Fellowship (2020) Dudley Saville Lectureship at Princeton University (2016), the AIChE COMSEF division Young Investigator Award (2013), ACS PMSE division Young Investigator (2014), University of Colorado Provost Faculty Achievement Award (2013), and Department of Energy (DOE)Early Career Research Award (2010). Her teaching has been recognized with the University of Colorado outstanding undergraduate teaching award (2011) and University of Colorado outstanding graduate teaching award (2014) in Chemical and Biological Engineering.

Campus North Parking
5505 S Ellis Ave
Map It