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
Seventh FAIRmat Users Meeting: Video Recordings Available
Video recordings of the presentations from the Seventh FAIRmat Users Meeting, held at CSMB Adlershof, Humboldt-Universität zu Berlin in November 2025, are now available on our YouTube channel
published 16.01.2026
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
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

