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described below. Research efforts will include application of density functional theory (e.g. QE, VASP, WIEN2K) and post-processing packages (e.g. ShengBTE, phono3py, Wannier90) packages to describe various
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-vis and EPR spectroscopies, magnetometry, cyclic voltammetry). Some experience in characterising paramagnetic compounds, modelling organometallic mechanisms, as well as basic density functional theory
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tariff scheme (TV-L Brandenburg), salary group E 13. The full-time position for the Postdoc has a weekly working time of 40 hours (100%). It can also be filled on a part-time basis. The position will be
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
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at better understanding of ligand binding in solution and molten salts chemistry. Computational methods will primarily involve density functional theory calculations for molecular and periodic systems
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Apply now Job no:534905 Work type:Faculty - Pro Tempore Location:Eugene, OR Categories:Biology/Life Sciences, Research/Scientific/Grants Department: Center for Translational Neuroscience Rank
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or heterogeneous catalysis of small molecule activation. Density functional theory applications to transition-metal containing molecular complexes. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods
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assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
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proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation of material properties, electronic structure, and atomic-scale behavior