MAE Seminar Series: Gaurav Arya

Computational Design of Nanoparticle and DNA-Origami Assemblies with Novel Architectures and Functions

In this talk, I will discuss the role of molecular-scale modeling and simulations in designing new material architectures and functions from assembly of polymer-grafted nanoparticles and DNA origami nanostructures. First, I will show how simulations have played an instrumental role in the development of a new strategy for assembling nanoparticles into unique higher-order structures. The approach harnesses the competition between interparticle interactions and interfacial interactions arising from a fluid-fluid interface to assemble polymer-grafted nanoparticles into tunable clusters, strings, networks, superlattices, and perforated structures. These material architectures could have possible applications in plasmonics, optics, membranes, and catalysis, where control over particle orientation and spatial arrangement is critical for function. Second, I will show how simulations are playing a key role in assembling higher-order arrays of DNA origami nanostructures to achieve novel functions. Specifically, I will discuss an approach for achieving precise placement of heterogeneous DNA origami species onto inorganic substrates. I will also talk about self-assembly of 1D arrays of DNA origami paddles that can communicate signals mechanically along the array and assembly of 2D arrays of interacting DNA rotors that can undergo order-disorder transitions akin to the Ising lattice. Such systems capable of exhibiting complex organizational or dynamic behavior could be harnessed for applications in sensing, soft robotics, optics, and energy harvesting.

Gaurav Arya is a Professor of Mechanical Engineering and Material Science, Biomedical Engineering, and Chemistry at Duke University. Prior to joining Duke in Fall 2017, he was an Assistant Professor and then Associate Professor in the Department of NanoEngineering at UC San Diego. He obtained his B.Tech. degree in Chemical Engineering from IIT Bombay in 1998, and Ph.D. degree, also in Chemical Engineering, from the University of Notre Dame in 2003. He carried out postdoctoral research at Princeton University and New York University. Professor Arya’s research focuses on molecular-scale modeling of biological and soft materials. Specifically, he uses simulations, often combined with theory or machine learning, to predict material properties and gain

molecular-level understanding of material behavior, with the overarching aim of discovering new phenomena and developing new materials. His current research falls within the themes of nanoparticle-polymer composites, DNA nanotechnology, and DNA translocation motors, and is well-supported by grants from NSF, DOE, and NIH and by two NSF-funded research and training centers. His group has published 98 peer-reviewed articles and 2 book chapters.

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