Prof. Dr. Silvana Botti
Area Leader
Prof. Dr. Kurt Kremer
Deputy Area Leader
Dr. Joseph F. Rudzinski
Area Coordinator
Goals of Area C
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Theoretical and computational materials science utilizes a huge variety of methods, including sophisticated classical simulations, highly complex quantum-mechanical many-body techniques, and multi-scale modeling. The NOMAD Laboratory already maintains the largest repository worldwide for input and outpur files of computational materials science codes. FAIRmat Area C is tackling the following goals.
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News from Area C
On-site LLM Hackathon for Applications in Materials and Chemistry in Berlin
FAIRmat hosted the on-site LLM Hackathon in Berlin
published 25.09.2025
7th FAIRmat newsletter
The August 2025 edition of our newsletter features news, interviews and articles from the FAIRmat community
published 29.08.2025
Sixth Users Meeting videos are now online
Video recordings of the presentations from the Sixth FAIRmat Users Meeting, held at Ruhr-Universität Bochum in July 2025, are now available on our YouTube channel
published 31.07.2025
Tasks in Area C
C1: Ab Initio Calculations
S. Botti, M. Marques
C2: Classical Simulations and Multi-scale Modeling
K. Kremer, K. Reuter, T. Bereau
C3: Excitations
R. Valenti, C. Draxl
C4: Wave-function Based Methods
Denis Usvyat

