Long Range Interactions and Aqueous Assembly

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• Richard Remsing, Rutgers University
• Monday 18 October 2021, 16:00-16:30
• https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09.

If you have a question about this talk, please contact Dr Christoph Schran.

Self-assembly is at the heart of many important processes, from biomolecular recognition to materials synthesis and design. In solution, molecular assembly generally involves more than direct solute-solute interactions and can be driven by the solvent. These solvent-mediated forces involve local short range interactions, such as hydrogen bonding in water, as well as long range electrostatic interactions like dipolar interactions. In this talk, I will discuss recent work on the theory and simulation of long range interactions in aqueous solutions. Our approach is rooted in local molecular field theory, which relies on a physically meaningful separation of short and long range interactions and models the averaged effects of long range interactions with effective fields. I will focus on using these ideas to analyze aqueous interfaces and ion-specific effects on protein adsorption to mineral surfaces. Then, I will conclude with a brief discussion of how to use these ideas to efficiently model long range interactions in molecular solutions.

This talk is part of the Lennard-Jones Centre series.

This talk is included in these lists:

• Hanchen DaDaDash
• Lennard-Jones Centre
• https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09

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