Objective
The increasing employment of transition metal containing compounds in the industrial production (i. e. Ziegler-Natta Polymerisation) or in medicine (i. e. cis-platina anti-tumor agents) shows the need of investigation of the underlying mechanism of metalorganic reactions.
The understanding of these reactions at the microscopic level requires calculations with the computationally most sophisticated methods. While traditional ab initio schemes are too expensive, Density-Functional-Theory (DFT) based schemes promise to give reliable results. The Amsterdam-Density-Functional program is the only pure DFT code developed in Europe. The parallel version of this code, currently developed with the support of the EC through the Europort 2 project within the ESPRIT- III framework, opens the way to calculate efficiently the large number of data required in a realistic period of time.
We now want to use these possibilities to implement new features and to improve the performance of the calculations.
The existing knowledge of information technologies and the theoretical background of density functionals in the workgroup of Prof. Baerends form together with the available hardware an in Europe unique platform to reach the aspired goals.
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.
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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.
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
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
1081 HV AMSTERDAM
Netherlands
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.