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work at the Université de Pau et des Pays de l'Adour (UPPA) in the Laboratory of Complex Fluids and Reservoirs (LFCR, https://lfc.univ-pau.fr/ ), within the research group “Thermophysical Properties” (PT
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on projects or scientific publications, in: - Kinetic Monte-Carlo simulations - Density Functional Theory - Topological Phases in 2D materials Additional experience in photocatalysis is a plus. (Compulsory
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? No Offer Description Simula UiB (https://simula-uib.com ) is a research institute in Cryptography and Information Theory located in Bergen, Norway. The Department of Information Theory is currently
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until now, even though a recently developed quantum theory for NL phenomena in this regime predicts improvements of several orders of magnitude in device performance compared to the current state
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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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at the density-functional and dynamical mean-field-theory levels, metal-insulator and structural phase transitions, quantum critical points, nonlinear and anomalous responses, optical traps, quantum computation
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molecule activation. Density functional theory applications to transition-metal containing molecular complexes. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods Candidates must have received a
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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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insulators and superconductors, and light-driven phase transitions. The personal website can be found here: https://ias.szu.edu.cn/en/info/1046/3165.htm Position Description We invite applications for one
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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