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. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
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the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate
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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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advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
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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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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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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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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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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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): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer