Objective The predictive ability of current simulations of interesting systems in nano- and biomolecular mechanics is questionable due to (1) uncertainties in material behavior of continuum models, (2) severe limitations of atomistic simulations in the computationally accessible length and time scales in relation with the scales of scientific and technological interest, and (3) the limited understanding gained from terabytes of data produced in supercomputing platforms. These difficulties seriously undermine the credibility of computer simulations, as well as their real impact in scientific and technological endeavors. Examples include fundamental challenges in materials science (structure-property relations), molecular biology (sequence-structure-function of proteins), or product engineering (virtual testing for analysis, optimization, control). This proposal addresses three important topics in nano- and biomolecular mechanics, whose full understanding and technological exploitation require predictive models and simulations: (1) Mechanics of carbon nanotubes at engineering scales, (2) Mechanics of fluid membranes in eukaryotic cells and bio-inspired technologies and (3) Local-to-global conformational space exploration and free energy calculations for biomolecules. We follow a multiscale approach, which seeks to incorporate the net effect of the small-scale phenomena described by fundamental models of physics into the coarser (computable) scales at which the system or device operates. In addition to specific impact in these applications, the proposed research is expected to exemplify the potential of multiscale approaches towards predictive and quantitative science and technology, as well as contribute to the credibility and utility of large investments in supercomputing. Fields of science natural sciencesphysical sciencesastronomyspace explorationengineering and technologymechanical engineeringmanufacturing engineeringproduct engineeringnatural sciencesbiological sciencesbiochemistrybiomoleculesproteinsnatural sciencesmathematicsapplied mathematicsmathematical modelnatural sciencesbiological sciencesmolecular biology Programme(s) FP7-IDEAS-ERC - Specific programme: "Ideas" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Topic(s) ERC-SG-PE8 - ERC Starting Grant - Products and process engineering Call for proposal ERC-2009-StG See other projects for this call Funding Scheme ERC-SG - ERC Starting Grant Coordinator UNIVERSITAT POLITECNICA DE CATALUNYA Address Calle jordi girona 31 08034 Barcelona Spain See on map Region Este Cataluña Barcelona Activity type Higher or Secondary Education Establishments Administrative Contact Mercè Torrellas (Mrs.) Principal investigator Marino Arroyo (Dr.) Links Contact the organisation Opens in new window Website Opens in new window EU contribution € 1 462 198,00 Beneficiaries (1) Sort alphabetically Sort by EU Contribution Expand all Collapse all UNIVERSITAT POLITECNICA DE CATALUNYA Spain EU contribution € 1 462 198,00 Address Calle jordi girona 31 08034 Barcelona See on map Region Este Cataluña Barcelona Activity type Higher or Secondary Education Establishments Administrative Contact Mercè Torrellas (Mrs.) Principal investigator Marino Arroyo (Dr.) Links Contact the organisation Opens in new window Website Opens in new window
