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theoretical modelling of our experimental results to support this work. This includes DFT modelling of absorber-molecule interfaces and calculations of absorption and Auger spectra. This work will be carried
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Scikit-learn, PyTorch, Openbabel, and RDKit packages. Experience with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing
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a Research Infrastructure? No Offer Description Chiral Nanocluster Materials (CHIRALNANOMAT), https://cordis.europa.eu/project/id/101227458 involving 13 PhD students across 7 European countries for 3
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to either first-principles calculations or AI supported database management of high-throughput type calculations/simulations. Basic knowledge of density functional theory (DFT) is beneficial. Strong
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plan: - Stage 1: Support in the structural characterization and physicochemical properties and reactivity of complexes derived from chelating systems by means of DFT or more sophisticated computational
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into cellulose-solvent interactions and fiber formation. The candidate will develop models at different levels, including molecular dynamics, DFT, and mesoscale simulations. This multiscale approach will assist in
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., DFT), and multiphysics simulations (e.g., COMSOL) to investigate charge transport, organic transformation pathways, heat flow, and field-induced effects. A strong publication record in high-impact peer
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, MD simulation, DFT modeling) Numerical methods in mechanics of materials for fatigue If interested, please send your application materials with the subject line “Postdoc in AM” to Dr. Amir Mostafaei
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of the digital ASIC-design flow is required: logic synthesis, timing analysis, power simulation, logic equivalence, DFT and/or P&R. Knowledge of FPGA-development is a plus. Knowledge of low-power designs is a plus
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qualifications PhD or equivalent in Nuclear Engineering, Physics, Chemistry, Materials Science or related disciplines Demonstrated proficiency with computational modeling, e.g., DFT simulations, Monte Carlo