Objective
Research objectives and content
The principal objective of the research project is the theoretical evaluation of electronic and dynamic properties of large van der Waals complexes.
The coupled cluster approach has proven powerful in describing weakly bounded systems and is actually the only theoretical method that offer and accuracy of 1 cm-1 in e.g. dissociation energies. The treatment of large complexes requires large scale computations, using so-called integral-direct techniques. The first part of the project is devoted to further developing these techniques for treating the singlet and triplet excited states of van der Waals complexes. Ones implemented, the method will be applied to the study of interesting complexes for which accurate experimental data are available, and to predict the properties of others still not studied experimentally.
Training content (objective, benefit and expected impact)
The main objective is to establish a new research line at U. Santiago by enabling host institution researchers and Ph.D. students to participate in a state of the art research project and gain training through the proposed courses and lectures.
Links with industry / industrial relevance (22)
The method will be applied to the study of van der Waals molecules that play a key role as models for processes like solvation and adsorption, both essential in many industrial chemical reactions.
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.
Data not available
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
15706 Santiago de Compostela
Spain
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.