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16 Apr 2026 Job Information Organisation/Company CNRS Department Institut de Chimie des Milieux et Matériaux de Poitiers Research Field Chemistry Chemistry » Computational chemistry Researcher Profile First Stage Researcher (R1) Application Deadline 6 May 2026 - 23:59 (UTC) Country France Type...
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from E. coli using molecular simulations to understand electron transfer between the second heme b and heme d [4]. To this end, we performed molecular dynamics simulations of the protein within a
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. Through molecular engineering of these hosts, PhOLEDs performance have been significantly increase, with external quantum efficiencies now exceeding 35%. Our group, based at the Institut des Sciences
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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element
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-heterocyclic carbenes (NHCs) revolutionized the fields of organometallic and organic catalysis. Now, it is non-NHC carbenes that are opening exciting new avenues. , These species, true "molecular Swiss Army
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the mechanisms of sorption and diffusion; (iv) to establish relationships between molecular structure and adsorption properties; and finally (v) to combine experiments and simulations to predict the performance
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the PhD). At Sorbonne University, the student will join IMPMC-UMR 7590 (https://impmc.sorbonne-universite.fr/en ). At the University of Melbourne, the student will join the Bio21 Molecular Science
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complexity of these transformations, the development of such technologies poses considerable fundamental research challenge embracing molecular catalysis, electro and theoretical chemistry up to process
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-added soluble molecular co-products and by valorizing ionochars for the adsorption of PFAS, commonly referred to as “forever chemicals.” The carbonization process and the resulting ionochars will be
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during sintering (temperature and current fields, resulting stresses, etc.). These fields will then be used as input conditions for Molecular Dynamics simulations in order to observe in situ atomic‑scale