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Disputation Abhinav Jha

16.10.2020 | 10:00
Thema der Dissertation:
Numerical Algorithms for Algebraic Stabilizations of Scalar Convection-Dominated Problems
Thema der Disputation:
On Domain Decomposition Methods for Implicit Solvation Models
A lot of chemical reactions of interest in chemistry and biology take place in a liquid phase and it is well noted that the solvent' effects play a crucial role in these processes. There are two widely used classes of models used to account for solvent' effects in the computation of the properties of a solvated molecule or ion, namely the explicit solvation models which adopt the molecular representation of both solutes as well as the solvent, and the implicit solvation models which treat the solute in a microscopic way and the solvent in a macroscopic way. Because of this microscopic treatment, implicit models are computationally more efficient and hence more popular. In this talk, we will discuss the domain decomposition methods for implicit solvation models and will particularly focus on the Linear-Poisson-Boltzmann equations. We will look at their implementation and provide some numerical studies.

Zeit & Ort

16.10.2020 | 10:00

Seminarraum 032
(Fachbereich Mathematik und Informatik, Arnimallee 6, 14195 Berlin)