Welcome to the Yethiraj group

We are a theoretical chemistry research group in the Department of Chemistry and Theoretical chemistry Institute  at the University of Wisconsin - Madison . Our general interests lie in understanding the structure and dynamics of complex fluids in solution and in complex enviroments using the methods of equilibrium and non-equilibrium statistical mechanics. More specifically, our current research is mainly focussed on using computer simulation for statistical mechanical understanding of structure and dynamics  of biophysical and nanoscale phenomena. We use two complementary approaches: a phenomenological approach where we devise simple models to obtain insight into complex behavior, and a bottom-up approach where we parameterize atomistic force-fields, then coarse-grain these to obtain realistic but efficient models for the molecular simulation of complex fluids. The main techniques of computer simulations employed are  molecular dynamics, Brownian dynamics, and Monte Carlo methods. The research is inter-disciplinary, with collaborations with experimentalists in the department as well as scientists in chemical engineering, physiology, and food science.

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