Offer Description
The mission will focus on the following aspects:
Overview of different chromatographic process models and their discretizations
Definition of test cases for performance analysis
Identification of bottlenecks for accelerating the current code: initialization, stop test, discretization, parallelization
Implementation of automatic code differentiation for sensitivity analysis.
The work will be carried out at IECL in close collaboration with the company Ypso Facto.
Bibliographical study of chromatographic processes (models, discretization…)
Analysis of current code (modeling, discretization, implementation) and identification of alternative solutions.
Sensitivity analysis
The post-doctorate will be carried out as part of a collaboration between the Institut Élie Cartan de Lorraine (IECL), and more specifically its Partial Differential Equations team, and the company Ypso Facto. Ypso Facto offers chromatographic process simulation solutions, drawing on complementary expertise in (bio)chemistry, process engineering and software development. IECL’s Partial Differential Equations team has extensive expertise in the numerical simulation of physical and/or chemical phenomena.
The simulation of chromatographic processes poses numerous difficulties. Their discretization leads to the resolution of a large number of coupled, potentially steep, algebraic-differential equations. The differential equations are of the advection-diffusion type and model the temporal evolution of the concentrations of the various chemical components, while the algebraic equations describe electro-neutrality.
The project aims to improve the performance and robustness of the simulation code developed by Ypso Facto, along different dimensions: modeling, discretization and implementation
Requirements
Additional Information
Eligibility criteria
Academic background: PhD in applied mathematics
Knowledge and skills :
Modeling
Scientific computing, numerical approximation of PDEs
Programming and parallel computing
General skills: organization, communication, teamwork
Work Location(s)
Where to apply
Contact
STATUS: EXPIRED
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