OpenMol is an object oriented computer program for calculating atomic
and molecular properties developed in international cooperation amongst
individual researchers primarily for their own use. The program is
focused on the study of excited electronic states by using the
Configuration Interaction method.
ChemIST is a project to develop and implement an artificial
intelligence approach to planning, conducting, and understanding of
computational studies in quantum chemistry. The system has a high
potential to become the first safe and reliable tool for
computational studies in chemistry for non-expert users in academia
and in particular in chemical and pharmaceutical industry.
OpenMolGRID (ended 31 March 2005)
OpenMolGRID is a EU 5th Framework Project amongst five European partners
to develop and deploy the application layer for a system for molecular
engineering and design by integrating heterogenious, distributed data
and computational resources based on the UNICORE Grid infrastructure.
KnowlEST (ended 09 December 2005)
KnowlEST is a EU COST Action amongst European research groups
to investigate and validate methodologies for discovering previously
unknown, non-trivial and potentially useful knowledge from structurally
complex, high volume and fast changing scientific and R&D databases
within the context of current and newly developing global computing and
data infrastructures such as Grid.
Comments to: Geerd HF Diercksen