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of radionuclides on clay mineral surfaces using DFT Kinetic Monte Carlo simulations with activation energy barriers as input to simulate large-scale interactions of nuclides with surfaces Preparation and
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the Forschungsverbund Berlin (https://www.fv-berlin.de/ ) and the Leibniz Association www.leibniz-gemeinschaft.de . You can find more details on the institute webpage: www.ikz-berlin.de . The Section Fundamental
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-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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