Ekaterina Zossimova

Postgraduate Researcher

Research interests:

Computational approaches to model plasmonic materials for high-resolution bio-sensing technologies
Predicting the optical properties of functionalized atomic-sized clusters and organic molecules with density functional theory and multi-scale models
Developing scientific software for GPAW and ASE

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My Research

I am currently based at the FIT Freiburg Center for Interactive Materials and Bioinspired Technologies, where I am working in collaboration with the group of PD Walter to develop polarizability models for the Atomic Simulation Environment. The polarizability models consider pairwise corrections for van der Waals interactions and perform faster in comparison to the equivalent many-electron simulations, whilst maintaining good accuracy for most molecular systems. Previously, I was a researcher at the A*STAR Institute of High Performance Computing (2019 -- 2021), where I used the GPAW implementation of density functional theory to study the optical properties of atomic-sized gold clusters and the adsorption of single molecules and ions on gold surfaces.