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Thermodynamics and molecular modeling

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This laboratory develops calculation tools and methods to access the thermodynamic behaviors of fluid and solid phases.

The laboratory’s expertise is based on multi-scale approaches to develop and propose simulation tools for different kinds of projects. It has capitalization tools developed in-house: a thermodynamic server (called Carnot) with numerous algorithms and models and also Monte Carlo and molecular dynamics-type simulation tools, plastic recycling, etc.

These approaches are implemented in the fields of CO2 capture and transport, as well as hydrogen production and management.