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Focusing on the use of computational methods, such as molecular dynamics simulations, to elucidate the effects of soft matter microscopic parameters (e.g., polymer chain persistence length) on experimentally measurable macroscopic properties (e.g., material stress-strain curve). The simulations provide insights on the interpretation of experiments, such as those of neutron scattering (e.g., SANS, NSE, NR). In addition, the simulations serve to inspire novel characterization experiments and influence the direction of new polymeric or soft material syntheses.
Publications
January 2015
Journal: Macromolecules
January 2015
Journal: The Journal of Chemical Physics
January 2015
Journal: Langmuir
September 2014
Dynamics of Confined Flexible and Unentangled Polymer Melts in Highly Adsorbing Cylindrical Pores...
Journal: The Journal of Chemical Physics
September 2014
Journal: ACS Macro Letters