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Donna Calhoun: The Immersed Interface Method and application in computational chemistry

Date: 2025-11-27

Time: 11:00 - 12:00

Zoom link: https://kva-se.zoom.us/j/9217561890

Speaker
Donna Calhoun, Boise State University

Abstract
The Immersed Interface Method (IIM) is finite difference method for discretizing PDEs defined in either in complex geometry, or with discontinuous material properties. The advantages of the IIM are that (1) domain geometry is “immersed” in a background Cartesian mesh and standard finite difference stencils can be used to discretize the PDE, (2) physical jumps in the solution and normal derivatives are naturally incorporated into the discretization, and (3) fast solvers can be used for problems defined either in irregular geometry, or problems with piecewise constant material properties. I will provide an introduction to the IIM by describing it as a natural extension of standard approaches learned in introductory numerical analysis courses. Then, I will describe preliminary results for an application to implicit solvation models in computational chemistry.