Fyzikální ústav Akademie věd ČR

The work description of the group of the laboratory of theory and computational instruments is the calculation of the electron structures, in particular focusing on the oxide materials on the border between the insulator and metal with strongly correlated electron systems.

Inter alia, one of the main goals is to use the newly developed methods for the calculation of crystal field of rare earth elements in various optical and magnetic materials. Calculations can be performed efficiently on large-scaled, centrally maintained and - in terms of the use of computing time - optimized computing instruments. An important part of said computational instruments is also required technical support with regard to both hardware and software. In this regard, we expect the use of two central computing clusters, which are members of the Institute of Physics hardware. This is a cluster LUNA (47 nodes with 16 CPUs, 95 GB RAM, 800 gigabytes scratch) and Kalpa (2 nodes 24 CPUs, 256 GB RAM, 450 gigabytes scratch). Clusters are managed by an organization METACenter, which provides an extensive and well-maintained software.

Contact person: Pavel Novák

Fig. 1.: Energy levels and the g-factors of Nd³⁺ ion in NdMnO³.