Amine-functional silica aerogels are promising CO2 capture materials, yet implementing effective adsorption / desorption cycles requires a deeper understanding of the processes involved as well as more reliable numerical tools to describe and design adsorption materials.
The postdoctoral researcher will develop reliable conceptual and numerical multiscale models (from atomistic to macroscopic scale) of sorption-relevant processes in functionalized nano- and micro-porous materials.
These models will support the rational design of functionalized aerogel devices for CO2-capture applications. The main challenge of the project is to understand the role played by the functionalization and the microstructure on sorption and gas diffusion.
To describe the hierarchy of structural and physicochemical scales that characterize the porous material and model the kinetics of CO2 adsorption and desorption, a multiscale approach will be employed.
The applicants must hold a PhD degree , preferably in physics, computational science, materials science or chemistry. The ideal candidate is capable of working autonomously as a part of the team and has a sound experience in numerical modeling and scientific programming, as well as knowledge of porous materials and / or adsorption processes.
Prior experience with one or more of the numerical methods relevant to the project (molecular dynamics, grand canonical Monte Carlo, molecular density functional theory, multiscale modeling) is an asset.
We offer internationally competitive conditions, optimal computational and experimental facilities, and the opportunity to work in a multidisciplinary environment where communication and interaction to create synergies and develop novel ideas are highly valued.
The position is offered for two years and is available from February 2021, or at a slightly later date upon mutual agreement.