Organisation/Company: CNRS
Department: PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX
Research Field: Chemistry » Physical chemistry, Chemistry » Computational chemistry
Researcher Profile: First Stage Researcher (R1)
Country: France
Application Deadline: 10 Dec 2024 - 00:00 (UTC)
Type of Contract: Temporary
Job Status: Full-time
Hours Per Week: 35
Offer Starting Date: 1 Dec 2024
Is the job funded through the EU Research Framework Programme? Horizon 2020
Is the Job related to staff position within a Research Infrastructure? No
Offer Description The postdoctoral fellow will participate in the SENSES (making Sense of Electrical Noise by Simulating Electrolyte Solutions) research project, coordinated by Benjamin Rotenberg. The general objective is to provide an integrated understanding of electrical fluctuations in bulk, interfacial and confined ionic fluids. These fluctuations are a powerful yet neglected source of information on these complex liquids, but they require appropriate theoretical tools to be interpreted.
In this context, the PDRA will investigate how much information NMR relaxometry experiments can provide on the multiscale dynamics of individual ions. For quadrupolar nuclei, the relaxation of the magnetization reflects the fluctuations of the electric field gradient (EFG) at the nucleus. Using molecular simulations, we will consider bulk, complex electrolytes relevant for energy storage applications, and the effect of interfaces for simpler aqueous electrolytes near solid walls, in particular minerals such as clays. The dynamics on longer time scales will also be explored using Langevin dynamics and mesoscopic lattice-based simulations, as well as analytical theories. The possibility to extract information on these mechanisms from experiments will be examined in collaboration with the experimentalists experts of NMR relaxometry in the PHENIX laboratory.
The postdoctoral fellow will in particular:
develop new theoretical approaches to model and interpret electrical noise in electrolyte solutions
perform molecular dynamics and/or mesoscopic simulations
develop software to analyse these simulations (based on existing tools available in the laboratory)
interact with other participants in the project and experimental collaborators
disseminate research via scientific publications and conferences
The PHENIX laboratory (Physical chemistry of electrolytes and interfacial nanosystems) is a joint research unit between CNRS and Sorbonne Université. It is located on the Pierre et Marie Curie Campus, in the center of Paris. It consists of ~90-100 people, including academic staff, PhD students and postdoctoral fellows, and conducts research in the fields of Energy (electrochemical storage, recycling...), Health (nanoparticles for imaging, ...) and Environment (waste disposal, water treatment, ...).
The postdoctoral fellow will be part of the "multiscale modelling and experiments" group and conduct research in the framework of the ERC project SENSES. Access will be provided to computational resources at the lab and University levels.
Candidates should have at the beginning of the contract a PhD in Physical Chemistry or in Physics, as well as a research experience relevant for the topic/activities of the present project. A good experience in classical molecular or mesoscopic simulation is expected, as well as a good knowledge of the associated theoretical and numerical tools (Statistical Mechanics of liquids...; some programming skills in at least one of: Python, Fortran, C, C++, ...). Written/oral communication in English is necessary (knowledge of French is not).
Additional comments:
The duration of the contract could be extended later to 24 months.
Start of the contract possible as soon as possible, but no later than January 2025, depending on your availability.
Please include in your application the name and contact information of at least one reference, who could be contacted during the evaluation process.
This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No. 863473 SENSES).
#J-18808-Ljbffr