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
Collaboration in Action: the Seventh FAIRmat Users Meeting
On November 20, the FAIRmat community met in Berlin for the Seventh FAIRmat Users Meeting
published 24.11.2025
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
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

