CORDIS
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Modeling approaches toward bioinspired dynamic materials

Project information

Grant agreement ID: 818776

Status

Ongoing project

  • Start date

    1 November 2019

  • End date

    31 October 2024

Funded under:

H2020-EU.1.1.

  • Overall budget:

    € 1 999 623

  • EU contribution

    € 1 999 623

Hosted by:

POLITECNICO DI TORINO

Italy

Objective

Nature uses self-assembly to build fascinating supramolecular materials, such as microtubules and protein filaments, that can self-heal, reconfigure, adapt or respond to specific stimuli in dynamic way. Building synthetic (polymeric) supramolecular materials possessing similar bioinspired properties via the same self-assembly principles is interesting for many applications. But their rational design requires a detailed comprehension of the molecular determinants controlling the assembly (structure, dynamics and properties) that is typically very difficult to reach experimentally.
The aim of this project is to obtain structure-dynamics-property relationships to learn how to control the dynamic bioinspired properties of supramolecular polymers. I propose to unravel the molecular origin of the bioinspired behavior through massive multiscale modeling, advanced simulations and machine learning. First, we will develop ad hoc molecular models to study monomer assembly and the supramolecular structure of various types of self-assembled materials on multiple scales. Second, using advanced simulation approaches we will characterize the supramolecular dynamics of these materials (dynamic exchange of monomers) at high (submolecular) resolution. We will then study bioinspired properties such as the ability of various supramolecular materials to self-heal, adapt or reconfigure dynamically in response to specific stimuli. Our models will be systematically validated by comparison with the experimental evidence from our collaborators. Finally, we will use machine learning approaches to analyze our high-resolution simulations and to identify the key monomer features that control and determine the structure, dynamics and dynamic properties of a supramolecular material (i.e., structure-dynamics-property relationships). This research will produce unprecedented insight and fundamental models for the rational design of artificial dynamic materials with controllable bioinspired properties.
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Host institution

POLITECNICO DI TORINO

Address

Corso Duca Degli Abruzzi 24
10129 Torino

Italy

Activity type

Higher or Secondary Education Establishments

EU Contribution

€ 1 999 623

Beneficiaries (2)

POLITECNICO DI TORINO

Italy

EU Contribution

€ 1 999 623

SCUOLA UNIVERSITARIA PROFESSIONALE DELLA SVIZZERA ITALIANA

Switzerland

Project information

Grant agreement ID: 818776

Status

Ongoing project

  • Start date

    1 November 2019

  • End date

    31 October 2024

Funded under:

H2020-EU.1.1.

  • Overall budget:

    € 1 999 623

  • EU contribution

    € 1 999 623

Hosted by:

POLITECNICO DI TORINO

Italy