New algorithms and hardware acceleration for atomistic simulations
| Begin |
24. January 2024 -
14:30 Uhr |
| End | 24. January 2024 - 16:00 Uhr |
Lecture hall 112
Building GII
Brückenstraße 1
02826 Görlitz
Speaker: Prof. Dr. Thomas D. Kühne, Director CASUS
Content:
The talk gives an overview of the computational methods developed in Prof. Kühne's research group for the atomic simulation of complex sustainable systems such as photocatalytic water splitting, thin film solar cells, as well as new materials for batteries and non-volatile phase change memories. The focus is on novel massively parallel algorithms based on the approximate computing paradigm and suitable for modern GPU- and FPGA-based hardware accelerators on the one hand, and on machine learning methods and inverse design techniques on the other hand.
Thomas D. Kühne has been Director of the Center for Advanced Systems Understanding (CASUS) since May 2023. His leadership of the institute at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) goes hand in hand with a teaching position at the Technische Universität Dresden. The Chair of Computational Systems Science, which Kühne has taken over, is based at the Institute of Artificial Intelligence in the Faculty of Computer Science and is jointly funded by TU Dresden and the HZDR. Before moving to CASUS, Thomas D. Kühne was Professor of Theoretical Chemistry at the University of Paderborn, where he had held the Chair of Theoretical Interfacial Chemistry since 2014 and had been Chair since 2018. From 2010 to 2014, he was Junior Professor of Theoretical Chemistry at Johannes Gutenberg University Mainz. After studying computer science and computational science and completing his doctorate in theoretical physics at ETH Zurich in 2008, Kühne spent a year as a postdoctoral researcher at Harvard University (USA). His work focuses primarily on the investigation of complex systems in condensed phases using computational methods, in particular aqueous systems such as water interfaces or biologically relevant reactions in water solutions. Kühne has published more than 150 papers in scientific journals and holds a Starting Grant from the European Research Council.
