Objective
The challenges in modern Computational Chemistry covering phenomena of long time scales, from femtoseconds to seconds, and large spatial scales, from small molecules to biopolymers, could be tackled by the emerging Grid computational technology. This allows one to employ hundreds of computers as a seamless, integrated, computational and collaborative environment embracing different categories of distributed systems.
The computational chemistry group at the University of Perugia has already taken this direction and created the Italian Chemistry Grid, CHEMGRID. They will be the main partners in transferring their knowledge to Theoretical and Computational Chemistry in Crete to build an intragrid in Crete, and together with the University of Antwerp will apply new algorithms suitable for Grid computing in the field of Quantum and Classical Molecular Dynamics. Subsequently, we shall be able to join and utilize larger Grids (as the European Grid) having at hand both codes and expertise.
This ToK is a four-year project and it will be realized in five Phases. In Phase 1 we create a local Grid in Crete in order to acquire the necessary knowledge in installing and operating a Grid middleware such as GLOBUS. In Phase 2 we shall develop a computer code to study the quantum dynamics of polyatomic molecules. Phase 3 involves the construction of a computer code for classical molecular dynamics suitable to search for specific orbits (rare events) in large molecular systems. Phase 4 is devoted to applications. In the final phase, Phase 5, we will report the results.
Three experienced researchers will be employed: one expert in high performance computing, one expert in classical and one in quantum dynamics. With the completion of the project all participating groups will become more competitive at the international level, by acquiring the ability to reap the much needed power provided by computational facilities of unthinkable magnitude a few years ago.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- engineering and technology electrical engineering, electronic engineering, information engineering electronic engineering computer hardware supercomputers
- natural sciences mathematics
- natural sciences biological sciences biochemistry biomolecules proteins enzymes
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP6-2004-MOBILITY-3
See other projects for this call
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
1527 HERAKLION, CRETE
Greece
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.