Goals of Area C
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.
- Significant expansion of the NOMAD infrastructure and services, adding a much wider scope of methodologies.
- Processing advanced ab initio methodology, classical simulations, multi-scale modeling, and excitations.
News from Area C
Tasks in Area C
C1: Ab Initio Calculations
S. Botti, M. Marques
C2: Classical Simulations and Multi-scale Modeling
K. Kremer, K. Reuter
R. Valenti, C. Draxl