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Arun Yethiraj
Researcher at University of Wisconsin-Madison
Publications - 243
Citations - 8213
Arun Yethiraj is an academic researcher from University of Wisconsin-Madison. The author has contributed to research in topics: Hard spheres & Monte Carlo method. The author has an hindex of 52, co-authored 238 publications receiving 7582 citations. Previous affiliations of Arun Yethiraj include University of Texas at Austin & Louisiana State University.
Papers
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A new coarse-grained model for water: the importance of electrostatic interactions.
Zhe Wu,Qiang Cui,Arun Yethiraj +2 more
TL;DR: This big multipole water (BMW) model represents a qualitative improvement over existing CG water models; for example, it reproduces the dipole potential in membrane-water interface when compared to experiment, with modest additional computational cost as compared to the popular MARTINI CG model.
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Self-diffusion and viscosity in electrolyte solutions.
TL;DR: Simulations and experiment results suggest that many popular water models do not accurately describe the dynamic nature of the hydrogen bond network of water at room temperature.
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Monte Carlo density functional theory of nonuniform polymer melts
TL;DR: In this article, a theory for nonuniform polymer melts is presented, which combines density functional theory with Monte Carlo methods, treating the ideal gas functional exactly via a single chain simulation and using the weighted density approximation for the excess free energy functional.
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Monte-Carlo simulation of polymers confined between flat plates
Arun Yethiraj,Carol K. Hall +1 more
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Effect of macromolecular crowding on reaction rates: a computational and theoretical study.
Jun Soo Kim,Arun Yethiraj +1 more
TL;DR: In this article, the effect of macromolecular crowding on the rates of association reactions is investigated using theory and computer simulations, and it is shown that the dependence of the reaction rate on the volume fraction of crowding agents varies with the reaction probability.