Schwerpunktkolloquium Analysis und Numerik: Numerical methods in continuum solvation models

Time
Thursday, 22. November 2018
17:00 - 18:30

Location
F 426

Organizer

Speaker:
Prof. Dr. Benjamin Stamm (Department of Mathematics RWTH Aachen University)

This event is part of an event series „Schwerpunktkolloquium Analysis und Numerik“.

Abstract: In this talk, we will present numerical methods to efficiently discretize a family of PDEs arising in the computation of solvation energies raising from continuum solvation models. After giving an introduction to the context of theoretical chemistry we will discuss the challenges of numerical schemes for such problems. We will continue with introducing a family of numerical methods based on a domain decomposition strategy in combination of integral equations and illustrate numerical tests analysing the performance of the methods.