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of Theoretical Chemistry is looking for a PhD Student (f/m/d) Theoretical Chemistry subject to pending project approval. Your tasks Simulations of activation energy barriers of adsorption/desorption
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Description at the Leibniz-Institut für Kristallzüchtung is looking for a PhD Student (m/f/d) for the topic: “Kinetic Monte Carlo Simulations for the Homoepitaxy of Ga2 O3 ” Ga2 O3 is a highly promising
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Karlsruher Institut für Technologie (KIT) | Karlsruhe, Baden W rttemberg | Germany | about 2 months ago
-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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link structure-property relationships from DFT, MD, phase-field, TEM/SEM, and other multimodal datasets from simulation and experiment Develop benchmarking protocols and toolkits to evaluate AI models