Computing Centre users get access to a broad range of software packages for scientific computations, including up-to-date development tools for high-performance applications, numerical modeling and symbolic computation. Special-purpose software for scientific solutions in physics, chemistry, hydrodynamics, materials analysis, statistics and engineering computations is a most important category of the software provided.

 More detailed list of available software grouped by categories is provided below:

Category

Software available

Physics

ANSYS, COMSOL Multiphysics, OpenFOAM

Plasma Physics

Vorpal

Molecular Dynamics

Abinit, DL_POLY, GROMACS, HyperChem

Quantum Chemistry

CRYSTAL, MPPcrystal, Firefly, HyperChem, Molpro, Quantum Espresso, WIEN2k

Materials analysis

Materials Studio

Hydrodynamics

OpenFOAM, ANSYS

Engineering computations

ANSYS, COMSOL Multiphysics, OpenFOAM, MATLAB DCS, MATLAB TAH, Mathematica

Statistics

Statistica Advanced, MATLAB DCS, MATLAB TAH, Mathematica

Mathematics

MATLAB DCS, MATLAB TAH, Maple, Mathematica

Geo-informatics

Mathematica, Scilab, ArcGIS

Optimization problems

Concorde, Mathematica, MATLAB DCS, MATLAB TAH

Signals processing

MATLAB DCS, MATLAB TAH, Mathematica

Development tools

Intel ® Cluster Studio, Intel ® Parallel Studio XE, NAG Fortran Compiler, PGI Compiler