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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: 00/113
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
  • Amir, Muhammad
  • Aouina, Dr. Ayoub
  • Benedini, M. Sc. Giulio
  • Bhumla, Dr. Preeti
  • Botti, Prof. Dr. Silvana
  • Gao, M.Sc. Kun
  • Klein, Patrick
  • Kowolik, Deborah
  • Sharma, M.Tech. Preeti
  • Sun, M.Sc. Dewen
  • Tancogne-Dejean, Nicolas
  • Werner, Alina
  • Zehl, Rico
Recent Publications
  • T. Cavignac, J. Schmidt, P. De Breuck et al. AI-driven expansion and application of the Alexandria database. Journal of Physics: Materials, 9, 025014, (2026)
  • P. Pires, T. Bispo Da Silva, K. Gao et al. Machine learning driven exploration of hydride superconductors at ambient pressure. Computational Materials Today, 10, 100052, (2026)
  • T. Hagger, M. Hassanzadeh, A. Urbonavicius et al. Cathodoluminescence analysis of defects and grain boundaries in Zn3P2 thin films grown on graphene by MOVPE and MBE. arXiv:2605.23357, 1, xx, (2026)
  • A. Aouina, N. Tancogne-Dejean, S. Botti. Functional and density-driven errors in density functional theory: quantum Monte Carlo benchmarks for solids. arXiv:2605.14745, 1, xx, (2026)
  • T. Bispo Da Silva, H. Wang, T. F. T. Cerqueira et al. High-throughput study of electrical conductivity in ordered metals. arXiv:2605.22167, 1, xx, (2026)
  • N. Kawashima, S. Botti. Intrinsic point defects and Frenkel pair formation in photovoltaic absorber Zn3P2: Regulating p-type conductivity through growth and annealing conditions. arXiv:2605.23479, 1, xx, (2026)

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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