Objective
The proposed project will develop and apply new theoretical and computational methodologies to study (bio)polymers and (bio)polymer aggregates. The techniques involved focus upon the underlying potential energy landscape and use global optimisation to loca te low-lying minima, and calculation of thermodynamic and dynamic properties using databases of stationary points. Polymer energy landscapes are especially difficult to treat using conventional methods (e.g. molecular dynamics, Monte Carlo) as they featur e vast numbers of local minima, broken ergodicity, and long relaxation times compared to those accessible by standard simulations. Broken ergodicity and slow relaxation issues are caused by experimentally relevant regions of configuration space being separ ated by high energy barriers, which although overcome on experimental time scales, are difficult to treat in simulations. The proposal would extend and generalise methods developed in the host group, which have been successfully applied to clusters and pep tides. The manifestation of the topology of the potential energy surface in observable dynamic/thermodynamic properties will be elucidated for polymer chains with various architectures (linear, ring, comb, dendrites) and for nano-aggregates of multiple cha ins. Aggregation of misfolded peptides is particularly important due to the implication of such structures in a growing variety of debilitating human diseases. There is an urgent need to understand such processes in more detail, especially the underlying g eneric structural principles. The host group has internationally recognised expertise, having introduced or developed many of the above methods. New developments in theory and software will be made available to other workers in the synthetic and biopolymer fields by publication in peer-reviewed journals. Treatment of larger systems, especially aggregates will require parallelisation of existing codes, and may use existing and future grid computing technology.
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 chemical sciences inorganic chemistry inorganic compounds
- natural sciences chemical sciences polymer sciences
- natural sciences physical sciences electromagnetism and electronics microelectronics
- natural sciences mathematics pure mathematics geometry
- natural sciences computer and information sciences artificial intelligence computational intelligence
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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.
FP6-2002-MOBILITY-5
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
CAMBRIDGE
United Kingdom
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.