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Scientists from the Faculty of Chemistry are using the high performance computing (HPC) facility for performing cutting edge research in a variety of fields. Some examples include: understanding unique properties and behavior of materials and interfaces using the principles of quantum mechanics; deciphering the principles of cellular self-organization processes such as protein folding and protein-DNA recognition; understanding the physics of turbulence; modeling climatic and atmospheric phenomena; and much more.

The Chemistry HPC was established in June 2010. It consists of 354 compute nodes with two and 8 nodes with four CPU sockets each. All together, the farm provides 8,488 cores, about 50TB RAM ranging from 4 to 16GB per one core, and 700TB of user disk space. There are 11 nodes with NVIDIA GPU accelerators, 10 of them are publicly available. The theoretical cluster performance is about 500 TeraFLOPs. The compute nodes are connected via InfiniBand network with fat tree topology, to allow for high-speed communication. The software installed includes advanced C and Fortran compilers, mathematical libraries, and a variety of commercial and homemade dedicated software suites that suit the user’ research needs.