Computing for Science (CFS) is a software company committed to the development and support of highly efficient and functional software to solve a wide variety of electronic structure problems, both in academia and industry.

CFS, under licence from the UK's Council for the Central Laboratories of the Research Councils (CCLRC), is responsible for co-ordinating the on-going support and development of the ab initio molecular electronic structure program GAMESS-UK.

Click on the links below to find out about:


GAMESS-UK is the general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. More information on the features and capabilities of the code can be found on the features page or by clicking on the relevant links on the navigation bar to the left.

The full version of the code is available for free to UK academics, although there is usually only a nominal fee to be paid for academic users outside the U.K.

Information on the different licences available for users both inside and outside the U.K. can be found on the licences page.

GAMESS-UK version 7.0 has now been officially released. For a list of the changes introduced in this latest version, please follow this link. Users interested in obtaining the latest release should send an email to:

Free demo versions of GAMESS-UK are available for the Macintosh OSX, Windows and Linux Operating Systems. The demo versions contain all of the functionality of the code, but are restricted to systems with no more than 200 basis functions and atoms. Users interested in obtaining a demo binary should send an email to:

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