02/15/18 - 9:45 AM to 11:00 AM
Department Seminar: Professor Arthi Jayaraman
"Molecular simulation studies of thermoresponsive polymers for design of biomaterials"
My research group develops molecular models, theory and simulation techniques to connect molecular features of macromolecular materials, specifically synthetic and biological polymers, to their morphology and macroscopic properties, thereby guiding synthesis and characterization of these materials for various applications in the energy and biomedical fields. In this seminar I will present our recent work on the development of a new coarse-grained model and the use of that model in molecular simulations for understanding a) melting thermodynamics in novel oligonucleic acids (ONA) as a function of ONA design, [1-3] and b) phase-transitions in soft materials made of thermoresponsive biopolymers, elastin-like peptide (ELP) and collagen-like peptide (CLP)[4,5].
- A. Ghobadi, A. Jayaraman* Effects of Polymer Conjugation on Hybridization Thermodynamics of Oligonucleic Acids J. Phys Chem B. (2016) 120 (36), 9788
- A. Ghobadi, A. Jayaraman* Effect of backbone chemistry on hybridization thermodynamics of oligonucleic acids: a coarse-grained molecular dynamics simulation study Soft Matter (2016) 12, 2276
- J. Condon, A. Jayaraman* “Effect of Oligonucleic Acid (ONA) Design on Assembly of ONA-Star Polymer Conjugates: A Coarse-Grained Molecular Simulation Study” Soft Matter (2017),13, 6770
- J. Condon#, T. B. Martin#, A. Jayaraman* “Effect of Conjugation on Phase Transitions in Thermoresponsive Polymers: An Atomistic and Coarse-Grained Simulation Study” Soft Matter (2017), 13, 2907 (# equal authorship)
- J. Condon, A. Jayaraman* “Development of Coarse-Grained Model of Collagen-like Peptide (CLP) for Studies of CLP Triple Helix Melting “ (2017) under review
The overarching goal of Professor Jayaraman's research is to develop and use molecular theory and simulations to elucidate microscopic phenomena governing macroscopic properties in polymers, and use that understanding to design and engineer novel materials for various applications including organic photovoltaics, drug and gene delivery, etc. Three main areas of interest include:
- self assembly in polymer nanocomposites and polymer functionalized nanoparticles;
- designing conjugated polymers based materials for organic photovoltaics; and
- designing soft materials for drug and gene delivery.
About Professor Jayaraman
Professor Jayaraman received her Bachelor of Engineering degree from Birla Institute of Technology and Science, Pilani, India, in 2000. She received her doctorate in chemical and biomolecular engineering from North Carolina State University in 2006, and from 2006-08 conducted her post-doctoral 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.
She has been awarded the Saville Lectureship at Princeton University (2016), the AIChE COMSEF division young investigator award (2013), the ACS PMSE division young investigator recognition (2014), University of Colorado Provost Faculty Achievement Award (2013), Department of Energy Early Career Research Award (2010), the University of Colorado outstanding undergraduate teaching award (2011) and graduate teaching award (2014) in Chemical and Biological Engineering.