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, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is
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prerequisites): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors
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, Raman spectroscopy and HPLC/GC-MS. Computational and Theoretical Analysis: Collaborate on DFT modeling of bond dissociation free energies (BDFE) and charge transfer energetics. Data Analysis and Reporting
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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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): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer
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Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department of Physics, City
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Tolerance in VLSI and Nanotechnology Systems (DFT), Athens, Greece, 2021, pp. 1-6, doi: 10.1109/DFT52944.2021.9568363. Funding category: Contrat doctoral Projet CORAM BPI PHD title: Thèse en microélectronique
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framework for metalloenzymes containing bound metal cofactors, with a focus on the Ni(I)–F430 center of methyl-coenzyme M reductase (MCR). Using density functional theory (DFT), force-field parameterization
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– such as taking statutory leave – then these may be taken into consideration. We are looking for someone with very strong knowledge of DFT-based electronic structure and lattice dynamics methods (DFPT and/or
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very strong knowledge of DFT-based electronic structure and lattice dynamics methods (DFPT and/or AIMD-derived phonons), as well as experience in scientific programming and HPC environments. You are