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, Mathematica |
|
Statistics |
Statistica Advanced, MATLAB DCS, Mathematica |
|
Mathematics |
MATLAB DCS, Maple, Mathematica |
|
Geo-informatics |
Mathematica, Scilab, ArcGIS |
|
Optimization problems |
Concorde, Mathematica, MATLAB DCS |
|
Signals processing |
MATLAB DCS, Mathematica |
|
Development tools |
Intel® Cluster Studio, Intel® Parallel Studio XE, NAG Fortran Compiler, PGI Compiler |
