Missions

The postdoctoral researcher will take part in the PEPR LEGEND project, whose overall objective is the study of new chemistries based on divalent metal ions, such as Mg(II), Ca(II), or Zn(II), for post-lithium rechargeable batteries. In this context, one of the challenges involves optimizing the electrolyte, which determines the stability of the metallic anode, the electrochemical window, and interfacial processes. This requires a molecular-level understanding of the electrochemical electrode/electrolyte interface.

The postdoctoral researcher will develop a theoretical approach to simulate the initial stages of plating and stripping processes at the anode/electrolyte interface, at the molecular scale, in order to determine the role of the electrolyte in the morphology of the deposited material.

Activities

The postdoctoral researcher will contribute to various aspects of the project, such as:
- developing new theoretical approaches to model electrode/electrolyte interfaces
- performing molecular simulations, such as molecular dynamics
- developing codes to analyze these simulations (building on tools already available in the laboratory)
- collaborating with other project participants
- writing of publications and participation in conferences

Skills

The candidate should hold a PhD in physical chemistry or physics at the start of the project and have skills relevant to the project's theme and activities. Solid experience in molecular simulation and/or machine learning is required, along with a good knowledge of associated theoretical tools (experience in programming languages such as Python, Fortran, C, C++, etc.; statistical physics of liquids, etc.). A good knowledge of spoken and written English is also required.

Work Context

The work will be carried out at the PHENIX laboratory (Physicochemistry of Electrolytes and Interfacial Nanosystems), a Joint Research Unit between CNRS and Sorbonne University. It is located on the Pierre and Marie Curie campus, in central Paris. The laboratory consists of approximately 90–100 researchers, lecturers, PhD students, and postdoctoral researchers, conducting research in the fields of energy (electrochemical storage, recycling, etc.), health, and environment.

The postdoctoral researcher will be part of the Electrochemistry and Ionic Liquids team. He/She will have access to the computational resources of both the laboratory and the university.

The position falls within a sector subject to Scientific and Technical Potential Protection (PPST) regulations and therefore, in accordance with the rules, itt must be authorized by the competent authority of the MESR.

The position is located in a sector under the protection of scientific and technical potential (PPST), and therefore requires, in accordance with the regulations, that your arrival is authorized by the competent authority of the MESR.