PREDMODSIM

Predictive models and simulations in nano- and biomolecular mechanics: a multiscale approach

 Coordinatore  

Spiacenti, non ci sono informazioni su questo coordinatore. Contattare Fabio per maggiori infomrazioni, grazie.

 Nazionalità Coordinatore Non specificata
 Totale costo 1˙462˙198 €
 EC contributo 1˙462˙198 €
 Programma 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)
 Code Call ERC-2009-S
 Anno di inizio 2009
 Periodo (anno-mese-giorno) 2009-10-01   -   2014-09-30

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    UNIVERSITAT POLITECNICA DE CATALUNYA

 Organization address address: Jordi Girona 31
city: BARCELONA
postcode: 8034

contact info
Titolo: Dr.
Nome: Marino
Cognome: Arroyo
Email: send email
Telefono: 934011805
Fax: 93 4011825

ES (BARCELONA) hostInstitution 1˙462˙198.00
2    UNIVERSITAT POLITECNICA DE CATALUNYA

 Organization address address: Jordi Girona 31
city: BARCELONA
postcode: 8034

contact info
Titolo: Mrs.
Nome: Mercè
Cognome: Torrellas
Email: send email
Telefono: +34 934 017 126
Fax: +34 934 017 130

ES (BARCELONA) hostInstitution 1˙462˙198.00

Mappa


 Word cloud

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multiscale    biomolecular    simulations    structure    supercomputing    nano    predictive    scales    engineering    fundamental    models    impact    technological    credibility    science    mechanics    scientific   

 Obiettivo del progetto (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.'

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QUOWSS (2010)

Quantum Optics in Wavelength Scale Structures

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NIMO (2014)

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OPTONEUROMOD (2014)

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