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  1. Simulations


From Theory to Numbers

In house developed codes are mainly used but also combined with open source or proprietary software particularly for ab initio part.

Transverse Transport Phenomena

are unconventional responses in the sense that they are transverse to the external fields. Examples include Hall effects, Spin-Hall effects, or transverse thermoelectric effects (Nernst effect) etc. I have developed a linear-scaling approach to simulate such transverse transport on a large scale (millions of orbitals) which allows to have unprecedented insight into the underlying fundamental physics.
Further reading: Phys. Rev. Lett. 2013, Phys. Rev. B 2015

Ab Initio

The variety of materials need to be described on the ab initio level to simulate their specific properties. We use density functional theory and time-dependent density functional theory for the simulations of various electronic parameters and optical spectra.
Further reading: Phys. Rev. Lett. 2005, Phys. Rev. B 2006, J. Comput. Chem. 2007. …

Ultrafast Dynamics and Localization

Transport phenomena from the femtosecond to the nanosecond timescale are being explored. We develop efficient linear-scaling approaches (order N) and implement them in our codes.
Further reading: EPL 2011, Phys. Rev. Lett. 2013, Nano Lett. 2013, 2D Mater 2014

Spin Physics and Spin Coherence

Here we are looking into the electron’s spin degree of freedom. Long spin coherence times are essential for any kind of spintronic application. It is therefore of utmost importance to understand the physics behind spin relaxation mechanisms. Spin currents are under scrutiny.
Further reading: Phys. Rev. Lett. 2012, Nature Phys. 2014, 2D Mater. 2015