Freitag, 20.01.2017, 14.15 Uhr
Some mathematical aspects in molecular simulations
Benjamin Stamm (RWTH Aachen University)
In contrast to traditional disciplines, like fluid-dynamics for example, computational chemistry is little developed in applied mathematics despite the fact that there are many common interests.
After a general introduction to the Schrödinger many-body problem, we will briefly speak about focussed models in computational chemistry. Then, some recent work on continuum solvation models will be presented. More precisely, we will discuss the problem setting, present a novel and efficient discretisation and provide some numerical results.
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Ort: Raum 008/SeMath, Pontdriesch 14-16, 52062 Aachen