Objective
Research objectives and content
The two basic objectives of this project are the following: | 1 ) asses a model to describe the best we can all single subsystems that are present in a Photosynthetic Reaction Center (RC). In this preliminary part we will refine the parameters to simulate chromophores consistently with their structural and spectroscopic data. A model of polarization will be introduced to account for solvent polarization effects on electronic transitions and the static charge model will be verified; 2) with the above refined models we will be able to investigate the effect of the environment on electronic transition of RC. The use of molecular dynamics simulation with an exact calculation of the electrostatic interactions and a multiple time scale method we will allow to carry out simulation for the entire system (about 35,000 atoms). In the framework of the spin-boson model we will compute the energy gap function and its related electronic spectra. In this fashion we hope to gain insights, at the atomistic level, in the mechanism which drives electron transfer in the RC. Training content (objective, benefit and expected impact) At the end of this project a vast experience in the application of numerical methods to the study of important problems relevant to biophysics will be achieved. In particular molecular dynamics, ab-initio and sempiempirical methods, and computation of optical properties from a serniclassical point of view. A benefit from the high multidisciplinar scientific level of the host institution will be a absolutely unique experience for future activitjes.
Links s with industry / industrial relevance (22)
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.
- natural sciences biological sciences biophysics
- natural sciences mathematics applied mathematics numerical analysis
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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
69364 LYON
France
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.