The following is a general description of the events. The mission of the seasonal school is to get together experts and users from the field of Density Functional Theory (DFT) in order to pass along knowledge and experience in the theory itself, ways of parallel implementation of DFT algorithms as well as efficient use of available DFT codes and program packages in HPC applications. The speakers for the event are selected among developers of four prominent/popular DFT program packages suited for wide area of problems in chemistry, physics and biology: atomic/molecular (orbital-based) problems, plane wave approach for solid states as well as on-the-fly DFT simulations. Attendees are expected to get answers to questions they may be facing everyday: which program package to choose for efficient parallel applications on certain problem (size) and available computational resources; what limits the applicability and parallel scaling of the particular DFT method in all possible respects and eventually how are the DFT algorithms implemented for distributed/shared memory parallel computers and other technologies (GPUs, Intel Xeon Phi). Attendees willing to strengthen their knowledge in general parallel algorithms will be provided introductory lectures on MPI/OpenMP and GPGPU/Intel Xeon Phi programming. The school is organized by the Computing Centre of Slovak Academy of Sciences (CC SAS) in cooperation with the VSB-Technical University of Ostrava/IT4Innovations. The venue is located directly in the campus of SAS close to Bratislava city centre. Bratislava is a beautiful historical city with international airport, not far from Vienna, Budapest and Prague, with a lots of opportunities for sightseeing and social life.
- Prof. Marek Sierka, University of Jenna, Germany (Turbomole)
- Dr. Ivano Tavernelli, IBM Research Laboratory, Zurich, Switzerland (CPMD)
- Dr. Martijn Marsman, University of Vienna, Austria (VASP)
- Dr. Fang Liu, Stanford University, USA (Petachem)
- Dr. Lubomír Říha, IT4Innovations VŠB-TUO Ostrava, Czech Republic
- Dr. Michal Merta, IT4Innovations VŠB-TUO Ostrava, Czech Republic
- Dr. Vladimír Malkin, Slovak Academy of Sciences, Slovakia