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, the postdoctoral researcher will be responsible for contributing to the development of advanced methodologies for predicting crystal structures (CSP) based solely on their chemical composition and atomistic modeling
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. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
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approaches based on density functional theory (DFT) have been introduced in recent years. A new research theme, "organometallic structures (MOFs)," has been introduced more recently, proposing the use
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Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description The postdoctoral researcher will have the primary
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Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description This one-year postdoctoral project aims to use multi scale atomic simulation
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of chemically storing and releasing hydrogen, using methanol as a reservoir. Main activities: • Utilize global optimization codes and perform DFT calculations on supercomputers. • Analyze results and
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in Toulouse: the LNCMI (transport measurements at very high fields), the CEMES (theory, DFT), and the LAAS (epitaxial growth and nanofabrication). Where to apply Website https://emploi.cnrs.fr/Candidat
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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 postdoctoral