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behavior. You will combine density functional theory, thermodynamics, and automated Python-based workflows to generate physically grounded datasets describing oxidation states, defect formation, and surface
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, mail: hazem.sallouha@kuleuven.be . Website for additional job details https://www.kuleuven.be/personeel/jobsite/jobs/60612794?hl=en Work Location(s) Number of offers available1Company/InstituteKU
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of Strathclyde in Glasgow, we offer DC positions focused on optical wireless communications. DC1.1 will work on designing high-speed, high-density, user-position-aware mobile optical wireless systems, while DC1.3
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs), or large language models (LLMs). Extensive Knowledge In: • First-principles atomistic simulations with packages
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ranked journal(s) is essential. You should be able to demonstrate strong computational modelling capabilities using first principle methods (e.g.: density functional theory), and expertise in quantum
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Website for additional job details https://emploi.cnrs.fr/Offres/CDD/UMR3680-ADACHE-001/Default.aspx Work Location(s) Number of offers available1Company/InstituteService de physique de l'état
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functional and clean-energy materials. The successful candidate will contribute directly to scientific discovery, method and code development, and ERC proposal preparation, working at the interface of density