In this talk I will highlight one specific project in my group aimed at developing coarse-grained models and computational approaches involving liquid state theory, molecular simulation, and machine learning for designing and characterizing macromolecular materials. Specifically, I will present computationally derived and experimentally validated design rules for non-linear polymer architecture that allows us to tailor the structure and thermodynamics of the nanostructured assemblies along with fundamental insights into the underlying molecular driving forces for self-assembly as a function of polymer architecture. The computational work done by my group in this project is linked to experimental work from the groups of Prof. Karen Wooley at Texas A&M and Prof. Darrin Pochan at University of Delaware and this collaborative effort is funded by NSF DMREF.
Arthi Jayaraman holds the position of Centennial Term Professor for Excellence in Research and Education in the Departments of Chemical and Biomolecular Engineering and Professor in Materials Science and Engineering at the University of Delaware. She currently also serves as an Associate Editor of Macromolecules. She 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 till 2014. In August 2014 she joined the faculty at the University of Delaware of Chemical and Biomolecular Engineering with a joint appointment in Materials Science and Engineering. Her research expertise lies in development of theory and simulation techniques and application of these techniques to study polymer nanocomposites and solutions and to design macromolecular materials for biological applications. She has been recognized with the APS Fellowship (2020), the Saville Lectureship at Princeton University (2016), ACS PMSE division young investigator (2014), the AIChE COMSEF division young investigator award (2013), University of Colorado Provost Faculty Achievement Award (2013), Department of Energy (DOE) Early Career Research Award (2010), the University of Colorado outstanding undergraduate teaching award (2011) and graduate teaching award (2014) in Chemical and Biological Engineering.