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Matt Knepley, Applied Mathematics Colloquium

September 16, 2016 @ 4:00 pm - 5:00 pm

Tea at 3:30 in Phillips Hall 330

Title: Improved Solvation Models using Boundary Integral Equations

Abstract: Solvation mechanics is concerned with the, mostly electrostatic, interaction of solute molecules, such as biomolecules essential for life, with solvent molecules, water and sometimes ions. The action of solvent molecules in the thin solvation layer around solute molecules is a key determinant of behavior. We will present a range of models of varying fidelity for this process, compare to existing approaches, and discuss the usefulness of these approaches.


September 16, 2016
4:00 pm - 5:00 pm
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