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25 Apr 2026 Job Information Organisation/Company CNRS Department Laboratoire national des champs magnétiques intenses Research Field Physics Physics » Solid state physics Physics » Surface physics Researcher Profile Leading Researcher (R4) Application Deadline 15 May 2026 - 23:59...
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quantum chemistry (DFT) and control engineering. PhD position in chemical reaction engineering (Kinetic modeling & thermal runaway) Supervisors: Sébastien Leveneur (sebastien.leveneur@ircelyon.univ-lyon1.fr
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. The first task will be to define a TD-DFT protocol for obtaining accurate gabs and glum values for nearly-isolated (i.e. solvated in apolar media) intrinsically chiral dyes. In a first phase, the PhD student
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objectives ii, iii, and iv and will therefore apply a large panel of excited-state methods (TD-DFT, ADC(n), CCn, CAS-PT2, etc.) both to define reference values and to benchmark lower-order methods. In more
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characterization of organometallic complexes Evaluation of catalytic activity in hydrogenation reactions Mechanistic investigations using NMR, IR spectroscopy, kinetic studies, and DFT calculations The project
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mechanisms in porous liquids. Density Functional Theory (DFT) calculations will allow analysis of specific interactions between gas molecules and POSS cages. **Scientific Environment** The PhD will be carried
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of oxygenates from CO and/or CO2, and mechanistic studies including operando spectroscopy and possibly numerical simulations (microkinetics, DFT). The objective is to discover new eco-efficient catalytic phases
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, combining theoretical (DFT modeling) and experimental approaches. - Study of reaction mechanisms: Identify key intermediates and reaction pathways that promote the formation of C–C bonds, using in situ
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RESILI-ANT project, led by Dr. Antoine Wystrach. The successful candidate will join the project team at Université de Toulouse Paul Sabatier and will work closely with PI Antoine Wystrach, a postdoctoral
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collaboration with a postdoctoral researcher in charge of the synthesis of the copolymers. The goal is to understand the relationship between the structure of the co-assemblies (morphology, size, core-to-shell