Molecular Physics

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Molecular Physics

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dummy image external linkOpenMol
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.


dummy imageexternal linkChemIST
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.


dummy imageexternal linkOpenMolGRID (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.


dummy imageexternal linkKnowlEST (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.



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