In a joint effort between computer scientists and theoretical chemists new tools have been developed for Grid applications
leading to the efficient management of large computational campaigns in the field of quantum chemical calculations. For that
purpose, the Vienna Grid Environment (VGE) software has been successfully extended allowing efficient job submission, status
control and data retrieval. In addition, the services of the Compchem Virtual Organization of Enabling Grids for E-science
(EGEE) Grid environment have been used. Extensive photodynamical simulation runs using the software packages COLUMBUS and
NEWTON-X have been performed on the cis-trans isomerization of a model retinal system, aiming at a detailed picture of the
primary processes of vision.
Keywords Grid computing - Grid middleware - web services - Quantum Chemistry - Photodynamics