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Artificial Intelligence for Integrated Material Science

Professor
Room: 00-0107
                            Tel.: +49 234 32 26370
                            E-Mail: miguel.marques@rub.de
Research
In present days there is a clear shift towards a new way of doing physics, which relies strongly on the use of computational means. Computational Physics, which is expanding with the availability of modern and more powerful computers, has been offering new insights on various natural phenomena, complementing and going beyond more traditional visions based on analytical approaches.
Our research can be broadly defined as Computational Condensed Matter, sometimes touching the fields of Material Science, Quantum Chemistry, or even Biophysics. Our research activities cover the following areas:
- Ab-initio structural prediction
- New materials for photovoltaic applications
- Spectroscopy of clusters and molecules within time-dependent DFT
- van der Waals interactions
- Functionals for (TD)DFT and RDMFT
- Development of octupus scientific software
Publications of the group can currently be found following the external link below:
https://orcid.org/0000-0003-0170-8222
Department Artificial Intelligence for Integrated Material Science
	ICAMS
	Ruhr-Universität Bochum
	Universitätsstr. 150
	44801 Bochum
	Germany
Building/Room: ZGH 00-111
E-Mail: miguel.marques@rub.de
PA: Deborah Kowolik
	Tel: +49 234 32 17776
	E-Mail: deborah.kowolik@rub.de