Supercomputation

The Department of Chemistry is constantly exploring new frontiers in computational chemistry and is fast implementing new technologies.

Currently, midscale calculations can be performed on multiple CPUs. For ab-initio and molecular dynamics jobs, users can benefit from the parallelization on 6 nodes with 48 fast CPUs in total.

Recently, we have built a new cluster, (darwin) based on Graphical Card (GPU) that runs molecular dynamics simulations with the CUDA software.

It has 2 Intel Xeon X5670 (2.93 GHz) processors and 3 NVIDIA graphical cards GTX 295 and GPU-compatible software (CUDA). Its computational power is equivalent to modern ~100 CPUs supercomputer.