Chemical Theory and Modelling Group
ChimieParisTech - PSL University

MaMa
MaMa

In-silico Models for the Design of Mechanochromic Functionalized Polymers
PI Prof Carlo Adamo​
Advanced Grant (AdG), ERC-2022-AdG MaMa n°101097351​
HOST INSTITUTION: Ecole Nationale Superieure de Chimie de Paris​
Start Date: 01/10/2023, End Date: 30/09/2028​
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MaMa is a project aimed at developing integrated computational approaches for the description and design of innovative mechanochromic materials, systems which are capable of altering their optical properties in response to external mechanical stimuli. ​
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The mechanochromic response is conferred upon common polymers such as elastomers, thermoplastics and thermosets through the introduction of chromophores either dispersed in the polymer matrix or chemically linked to the polymer chains. The structural deformation caused by an external force on the polymer matrix will result in excimer formation or dissociation, that will cause light emission or color change.​
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In order to describe this phenomenon from molecular to nanoscale a series of computational approaches will be employed, such as quantum mechanics, embedding and coarse-grained methods. ​
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The project will engage in active collaboration between leading theoretical and experimental chemists to rigorously validate the computational tools, ensure that newly developed mechanochromic materials meet technological standards and illustrate their broad applicability in diverse areas, such as responsive coatings and textile, biosensors, data-storage devices, stress-monitoring systems, anti-counterfeiting technologies, and beyond.​
Within the MaMa project, collaborations are planned with Professors Andrea Pucci (University of Pisa, Italy), Giuseppe Milano (University of Naples, Italy) and Masahiro Ehara (Institute of Molecular Sciences, Japan). ​
Members financed by the MaMa project:
​Dr. Michele Turelli ​
PhD student Davide Massafra
PhD student Irene Pusceddu ​
​PhD student Luca Soldati​
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