（全奖）法国里尔中央大学招聘博士（与索尔维E2P2L紧密合作） - 计算化学公社

Description: A joint experimental–theoretical PhD position is available at École Centrale Lille (France),within the framework of an industrial collaboration with E2P2 laboratory inShanghai (China), a collaborative unit between Solvay industry and the CNRS(the National Scientific Research Center of France). The objective of theproject is to provide in-depth understanding of the catalytic two-stepautoxidation in hydrogen peroxide (H2O2) production. Theexperimental side of the program will be supervised by Pr. Sebastien Paul,while the computational aspect of the research will be handled by Dr. JérémieZaffran. High throughput (synthesis conditions such as temperature, reagentconcentrations, reaction time, etc.) experiments combined with ab initio calculations (densityfunctional theory, DFT) will be led together to get a deep understanding ofusual noble metal-based catalysts used in H2O2production, and to develop efficient earth abundant-based multi-metalliccatalysts for that purpose. This work will be assisted by machine learning (ML)algorithms to speed-up the design of solid catalysts, predicting their activityand selectivity from a set of various computed and measured descriptors.Ultimately, such a research is expected to produce relevant tools to academicsand industry to address the reactivity issue in H2O2production and in several other areas.

Profile and skills required: We invitecandidates with a completed Master of Science degree (or equivalent) inchemistry, physics or materials science. The successful candidate is expectedto bring strong interest in the study of catalytic mechanisms and applying experimental andsimulation methods (especially DFT) to solving problems of industrial andscientific interest. We further expect good written and oral communicationskills in English, the ability to work independently, and cooperate withpartners. French language skills will be an advantage.