Postdoctoral Position in Computational Molecular Modeling of Cementitious Materials, Nantes, FRANCE

A new postdoctoral position is open at SUBATECH (Institut Mines-Télécom Atlantique), Nantes, FRANCE, in the area of computational molecular modeling of cementitious materials (http://www.emn.fr/z-subatech/kalinich/research.html).

 Generally, the postdoctoral position is associated with the newly funded by the European H-2020 program multidisciplinary research consortium Science4CleanEnergy (S4CE), which brings together over 20 world-leading academics, research laboratories, and industrial partners from more than 10 European countries. The S4CE research project includes fundamental studies of fluid transport and reactivity, development of new instruments and methods for the detection and quantification of emissions, micro-seismic events etc., lab and field testing of such new technologies, and the deployment of the successful detection and quantification technologies in subsurface sites for continuous monitoring of the risks identified by the European Commission. S4CE research will make it possible to (a) quantify the environmental impact of sub-surface geo-energy applications; (b) develop and demonstrate new technologies; (c) quantify the likelihood of environmental risks ranging from fugitive emissions, water contamination, induced micro-seismicity, and local impacts based on the data collected during the duration of the project; (d) develop innovative analytical models and software based on the above data. S4CE will deliver the independent assessment of the environmental footprint related to geo-energy sub-surface operations, having as primary impact the assistance to policy making.

 More specifically, the postdoctoral researcher will contribute to the modeling studies within the S4CE Work Package 5 (Data Gathering and Model Implementation), with particular focus on improving quantitative molecular scale understanding of fluid transport pathways and failure processes of cements. The modelling will start from the molecular resolution of the fluid-cement based concrete material interfaces. These atomistic simulations will describe the preferential adsorption of various compounds on the surface (e.g., H2O as opposed to CO3-, and will be able to quantify transport mechanisms. To identify possible cement failure mechanisms we will explore possible reactions of the fluid components (e.g., CO2) with the materials by implementing the ReaxFF approach.

 Potential applicants are expected to have a strong background in physics, chemistry, chemical engineering, materials science, or other related field, a good knowledge of computational molecular modeling techniques and experience with classical and/or ab initio molecular simulations, and a strong interest in the application of these computational modeling techniques to study fundamental atomic-scale properties of technologically and environmentally important materials.

 The position can be available as early as September 2017 initially for 1 year with further extension for up to 3 years depending on performance.

 To apply, please send a detailed CV and the names and addresses of at least three professional references to Dr. Andrey Kalinichev (Cette adresse e-mail est protégée contre les robots spammeurs. Vous devez activer le JavaScript pour la visualiser.).