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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

Further information can be found at Prof. Marques‘ other website:
https://www.tddft.org/bmg/index.php

Publications of the group can currently be found following the external link below:
https://orcid.org/0000-0003-0170-8222