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Fachbereich Mathematik und Informatik


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Fachbereich Mathematik und Informatik/Mathematik/

Artificial Photosynthesis

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Research

The research of the "Artificial Photosynthesis" group focusses on the modeling and simulation of chemical reactivity. The emphasis is put on multiscale modeling frameworks linking the knowledge from sub-nanometer scale simulations of bond making and bond breaking with meso- or macroscopic models. For this, we employ and develop a number of different computational methods. Currently, we work on stochastic simulation, sparse grids, tensor networks and the numerical solution of partial differential equations.

Atomistic-Continuum Coupling for Heterogeneous Catalysis
EC-Math SE23
Implicit solvation models in electronic structure simulations
Stochastic reactivity models
EC-Math SE14 (finished)

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