31 May How Molecular Dynamics Is Broadening Our Perspectives In Material Chemistry?

The benefits of a dual approach: experimental versus modeling

Taking into account the need to shorten development times, MD simulations could help cut down on cost and time by reducing the number of experiments. Implementing modeling as part of a research strategy is consistently done together with and alongside experimental manipulations. Back and forth between modeling and experiments are typically done to improve the relevance between simulated and experimental data – feeding off one another. While experimental data is needed to validate the models, computer methods could then help foresee new opportunities for innovation. This dynamic is at the core of a complete and peculiar methodology.

Be a part of this new adventure!

SPECIFIC POLYMERS has thus recently introduced materials modeling to its research activities to facilitate the accelerated development of innovative high-performance materials This new activity was initiated by the RAPID project MARCHE > , in 2019, dedicated to the development of ultra-conductive coatings and followed by the RAPID project FOCEA > ; in 2020 on thermally stable resins for composites.
As of today, a broad variety of epoxies and cyanate esters resins have subsequently been modeled. Simulated bulk properties, in particular glass transition temperature and elastic moduli of such materials, are in good compliance with the awaited experimental ones. As research progresses in that respect, more complex simulations are being carried out. For instance, results regarding the modeling of hybrid materials are counted upon in the foreseeable future.

As one would expect, this modeling tool applies to a large range of applications and domains. This is why we are always looking forward to collaborating with partners anytime on this matter – reach out!