Organisation/Company: CNRS
Department: Laboratoire de réactivité et chimie des solides
Research Field: Chemistry » Physical chemistry, Chemistry » Computational chemistry
Researcher Profile: First Stage Researcher (R1)
Country: France
Application Deadline: 27 Nov 2024 - 23:59 (UTC)
Type of Contract: Temporary
Job Status: Full-time
Hours Per Week: 35
Offer Starting Date: 1 Feb 2025
Is the job funded through the EU Research Framework Programme? Not funded by a EU programme
Is the Job related to staff position within a Research Infrastructure? No
Offer Description The recruited researcher will have the opportunity to work as part of an international, interdisciplinary team of 17 doctoral candidates, based at universities and industrial firms throughout Europe. She/he will be supported by two mentors within the PREDICTOR project and will have multiple opportunities to participate in professional and personal development training. Through her/his work, she/he will gain a unique skill-set at the interface between modelling and simulation, high-throughput experimentation/characterization, and self-optimization and data management over different length scales from nano to the macroscopic level.
She/he is expected to finish the project with a PhD thesis and to disseminate the results through patents (if applicable), publications in peer-reviewed journals, and presentations at international conferences.
At LRCS and in Prof. Dr. Franco's team, the PhD candidate will find a scientific environment of excellence, with state-of-the-art equipment and computational facilities, within a highly international and friendly atmosphere. Twice a year, the laboratory organizes the Scientific Days, an event where all the students and personnel of the lab present their research activities, followed by barbecues and get-togethers.
Requirements Qualifications/experience:
• In accordance with the European Union's funding rules for doctoral networks, applicants must NOT yet have a PhD.
• The PhD candidate should have a strong background in Artificial Intelligence (AI) methods, including machine learning, and data science methods as a whole. Experience with Python programming language and classical AI libraries is necessary. The candidate should also have a background in computational modeling (e.g., elementary kinetic modeling, kinetic Monte Carlo) and knowledge of materials science and/or physical chemistry of materials. Knowledge and/or experience in the field of batteries or redox flow batteries, as well as in the synthesis of materials for these technologies, will also be appreciated. The PhD candidate should be open-minded, highly motivated, dynamic, and possess an excellent level of English, both spoken and written.
Mobility:
The applicant must not have resided or carried out her/his main activity (work, studies, etc.) in France for more than 12 months in the past 3 years. The PhD candidate will visit the lab of Prof. Dr. Alexei Lapkin at the University of Cambridge (UK) for collecting data from the materials synthesis.
The PhD candidate will be in charge of i) the development of cutting-edge machine learning models correlating materials synthesis protocols with materials properties, and ii) using such models in an innovative multi-objective Bayesian optimiser able to predict which synthesis protocols to adopt to reach the material property target. The used data will be both synthetic (generated by physical models developed by the candidate) and experimental (generated by the partners).
The PhD candidate will work with advanced Artificial Intelligence (AI)/Machine Learning methodologies, using Python programming language and classical related AI libraries. The candidate will also perform computer (numerical) simulations solving numerical models describing the synthesis procedures. Such models can be based, for example, on elementary kinetic models and reaction networks.
The Doctoral Network "PREDICTOR" is financed by the European Union under the framework of the program HORIZON Europe, Marie Sklodowska-Curie Actions. The doctoral candidate will be hired for 36 months under contract by the Centre National de la Recherche Scientifique (CNRS), with a monthly gross salary of approx. 3,048€ (including mobility allowance, but excluding other allowances that depend on eligibility, e.g., family allowance, special needs allowance).
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