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Currently I am a postdoctoral fellow at the MATHERIALS team of the CERMICS laboratory, ENPC, and Inria Paris working on the density-functional toolkit (DFTK). Additionally I am affiliated to the ISCD at Sorbonne Université.

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Research interests

My research revolves around developing and implementing algorithms for the quantum-chemical modelling of atoms, molecules and solids.

I investigate, for example, how unusual basis functions (like exponentially decaying Coulomb-Sturmians) could be employed when solving the fundamental equations of quantum chemistry or work on developing codes, which bring together the efforts of multiple research communities in this interdisciplinary field. Related to this it is my aim to produce quantum-chemical software in a way that it is more modular and enables experimentation on all levels. Read more ...

Teaching activities

Since the beginning of my PhD I have been involved with tutoring in introductory classes for chemistry or computer science students and offered a couple of short courses about scripting and programming. Furthermore I regularly participate in organising summer schools for final year pupils (i.e. Deutsche Schülerakademie), in which we e.g. offered a course about basic quantum chemistry. Teaching overview ...