Am Montag, den 12. Mai 2025, um 12:00 Uhr c.t., hält Prof. Dr. Silvana Botti im Rahmen unseres Physikalischen Kolloquiums ihre Antrittsvorlesung.
Botti ist Professorin für Theorie der angeregten Zustände von integrierten Festkörpersystemen an der Fakultät für Physik und Astronomie und am Research Center Future Energy Materials and Systems (RC FEMS) der Research Alliance Ruhr. Am Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) leitet sie außerdem die Abteilung Computational Design of Functional Interfaces. Ihr Vortrag trägt den Titel „AI-POWERED MATERIALS DESIGN – FROM DISCOVERY TO APPLICATION“.
In this presentation, we explore the utilization of supercomputers to design new functional materials with a focus on energy applications. The combination of high throughput techniques and rapidly advancing
supercomputers enables the automatic screening of vast numbers of hypothetical materials, providing solutions to current technological challenges. Moreover, the integration of machine learning methods
with density-functional theory [1,2] offers a powerful approach to accelerate materials discovery. We summarize our recent efforts in the discovery, characterization, and understanding of inorganic
compounds using these innovative approaches, with a specific emphasis on materials for photovoltaics.
While characterizing the electronic properties of crystalline bulk materials is crucial, it may not be sufficient to design electronic devices. Interfaces, such as those found in transistors, light-emitting diodes,
and solar cells, play a pivotal role in exploiting quantum processes involving electrons in tailored multilayers. The ability to shape potential gradients at interfaces opens up opportunities for electron
manipulation and the development of new functionalities. However, designing interfaces and gaining a deep understanding of their properties present challenges that exceed the current state of the art. We
discuss recent advancements in this direction [3,4].
[1] J. Schmidt et al., Adv. Mater. 35, 2210788 (2023).
[2] J. Schmidt, L. Pettersson, C. Verdozzi, S. Botti, and M.A.L. Marques, Sci. Adv.7, eabi7948 (2021).
[3] L. Sun, M.A.L. Marques, and S.Botti, Nat. Commun, 12, 811 (2021).
[4] T. Rauch, M.A.L. Marques, and S. Botti J. Chem. Theor. Comput. 16, 2654-2660 (2020).
Abstract des Vortrags von Prof. Botti.
Prof. Dr. Hendrik Hildebrandt gibt eine Einführung in den Vortrag.
Die Fakultät lädt alle Interessierten herzlich ein. Die Veranstaltung findet im Hörsaal HNB statt.
Alle Termine des Physikalischen Kolloquiums finden Sie hier.
Bilder: Prof. Silvana Botti © RUB, Marquard, DFT filters © Botti