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of materials under pressure, with a view to identifying and formalizing rules and concepts; - Applying the DFT/MLIP “Crystal Structure Prediction CSP” methodology to various issues addressed by the research
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the test engineering team on silicon characterization and validation Where to apply Website https://www.imec-int.com/en/work-at-imec/job-opportunities/dft-architect Requirements Research
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understanding of new flame-retardant electrolyte for sodium-ion (Na-ion) batteries. Where to apply Website https://skk.erecruiter.pl/Offer.aspx?oid=4802759&cfg=f9259847cda849b087ecf2d046… Requirements Research
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of new flame-retardant electrolyte for sodium-ion (Na-ion) batteries Where to apply Website https://skk.erecruiter.pl/Offer.aspx?oid=4802762&cfg=f9259847cda849b087ecf2d046… Requirements Research
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physical techniques. Responsibilities and tasks: • In-depth and extensive bibliographic study; • Optimization of the crystal growth process through numerical models; • DFT and DFT+eDMFT studies
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-41 https://doi.org/10.1016/j.psep.2020.07.017 🎓 What you will gain • Strong expertise in advanced kinetic modeling • Hands-on experience with calorimetric instrumentation • Exposure to DFT and AI
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Laboratoire de Chimie Théorique, Sorbonne Université & CNRS | Paris 15, le de France | France | 3 days ago
not yet exist. The project aims to develop new electronic structure methods, in particular within the framework of density functional theory (DFT), based on a variational formulation of QED. The work
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of materials. The position requires extensive knowledge in performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to elucidate complex reaction mechanisms occurring
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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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. 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