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Home » Institute » Departments & Research Groups » Computational Design of Functional Interfaces

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Department

Computational Design of Functional Interfaces

Our department works on the development of many-body treatments for theoretical spectroscopy combined with machine learning and crystal structure prediction to understand the electronic properties of existing materials and design improved materials and functional interfaces. Our recent research activities focus on materials for energy production, storage and saving.


Silvana BottiRUB, Marquard
Prof. Dr. Silvana Botti

Professor

Room:
Tel.: +49 234 32 28773
E-Mail: silvana.botti@rub.de




Research

This website is under construction!
Publications of the group can currently be found following the external link below:
https://orcid.org/0000-0002-4920-2370

Illustration of the atomic cluster expansion..
Members
  • Aouina, Dr. Ayoub
  • Bhumla, Dr. Preeti
  • Botti, Prof. Dr. Silvana
  • Chen, M.Sc. Xiao
  • Gao, M.Sc. Kun
  • Klein, Patrick
  • Kowolik, Deborah
  • Sharma, M.Tech. Preeti
  • Sun, M.Sc. Dewen
  • Werner, Alina
Recent Publications
  • A. Aouina, P. Borlido, M. Marques et al. Assessing exchange-correlation functionals for accurate densities of solids. Journal of Chemical Theory and Computation, 20, 10852–10860, (2024)
  • J. Schmidt, T. Cerqueira, A. Romero et al. Improving machine-learning models in materials science through large datasets. Materials Today Physics, 48, 101560, (2024)
  • M. Evans, J. Bergsma, A. Merkys et al. Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital Discovery, 3, 1509–1533, (2024)
  • M. Seifert, T. Rauch, M. Marques et al. Computational prediction and characterization of CuI-based ternary p-type transparent conductors. Journal of Materials Chemistry C, 12, 8320–8333, (2024)
  • W. Peeters, V. van Lange, A. Belabbes et al. Direct bandgap quantum wells in hexagonal Silicon Germanium. Nature Communications, 15, 5252, (2024)
  • M. Seifert, T. Rauch, M. Marques et al. Computational prediction and characterization of CuI-based ternary p-type transparent conductors. Journal of Materials Chemistry C, 12, 8320–8333, (2024)

All publications

Contact and Office Hours

Department Computational Design of Functional Interfaces

Ruhr-Universität Bochum
Universitätsstr. 150
44801 Bochum
Germany

Building/Room: ZGH 00-111

E-Mail: silvana.botti@rub.de

PA: Deborah Kowolik
Tel: +49 234 32 17776
E-Mail: codefi@rub.de

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Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
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