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Is the Job related to staff position within a Research Infrastructure? No Offer Description CIC energiGUNE is looking for a Postdoctoral Researcher to join the Atomistic & Molecular Modelling
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. Developing workflows and machine learning algorithms to accelerate catalyst design (optional). Group: Atomistic & Molecular Modelling for Catalysis Group Requirements Specific Requirements PhD in Chemistry
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addressable spin qubits in molecules as a powerful platform for combining optical/microwave spin manipulation with the atomistic control afforded by chemistry [e.g., Science, 370, 1309 (2020); Phys. Rev. X 12
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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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-principles and atomistic simulations with machine-learned interatomic potentials to: Model reaction pathways on metal-oxide surface, including adsorption, reactions and diffusion steps. Construct atomistic
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Postdoctoral Research Associate- AI/ML Accelerated Theory Modeling & Simulation for Microelectronics
and 2D memristive materials). As a Postdoctoral Research Associate, you will contribute to research in these areas, bridging state-of-the-art atomistic and mesoscopic simulation methods as indicated
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, are needed. Specific expertise can focus on modelling of e.g., polymer, biomolecular systems, or colloidal systems. We work at both atomistic and coarse-grained modelling levels and appreciate multiscale
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samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted