Prof. Benjamin Stamm, RWTH Aachen, will be visiting our group from Tuesday 11th To Friday 14th. He will hold a seminar on Wednesday 12th, h. 16.30, Aula 33 with the following title: The domain decomposition paradigm for continuum solvation models
Abstract: This talk gives an overview of the domain decomposition method for different continuum solvation models including COSMO, PCM and the linearised Poisson-Boltzmann model which are based on a molecular cavity consisting of a union of balls (van der Waals cavity). In a second part, we analyse the Solvent Excluded Surface which is topologically different from the van der Waals cavity and extend the domain decomposition method to this kind of cavity. Numerical tests will illustrate the properties of these methods.
