On Monday, May 12, 2025, at 12:00 c.t., Prof. Dr. Silvana Botti will give her inaugural lecture as part of our Physics Colloquium.
Botti is Professor of Theory of Excited States of Integrated Solid State Systems at the Faculty of Physics and Astronomy and at the Research Center Future Energy Materials and Systems (RC FEMS) of the Research Alliance Ruhr. She also heads the Computational Design of Functional Interfaces department at the Interdisciplinary Center for Advanced Materials Simulation (ICAMS). Her lecture is entitled "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. Furthermore, 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
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 of the lecture by Prof. Botti.
Prof. Dr. Hendrik Hildebrandt will give an introduction to the lecture.
The faculty cordially invites all interested parties. The event will take place in lecture hall HNB.
All dates of the Physics Colloquium can be found here.
Pictures: Prof. Silvana Botti © RUB, Marquard, DFT filters © Botti