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to supported molecular species such as DRIFTS and X-ray absorption spectroscopy would be an asset but is not a prerequisite Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and
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related field. Computational materials modeling using electronic structure theory-based codes: (Gaussian, VASP, CP2K, QBox), molecular dynamics code (ASE, LAMMPS, OpenMM, Hoomd-blue), ML frameworks (JAX
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teamwork. Applicants should have expertise in some of the following: Density functional theory/molecular dynamics modeling of materials, e.g. high throughput calculations, structure prediction, classical
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kinetics of radicals and molecules over broad ranges of pressure. Recent work has focused on, gas-phase molecular growth, disproportionation and thermally initiated roaming radical reactions. A core strength
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The Fundamental Symmetries group in Argonne’s Physics Division hosts a range of on-site experiments aimed at detecting phenomena beyond the Standard Model of particle physics. We are seeking a
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communication skills Significant research experience with molecular dynamics simulations Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork Preferred Qualifications Include
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This postdoctoral position involves the modelling of molten salts and ionic liquids related to sustainable steel production studies at Argonne National Laboratory. The focus of this position is on
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in-house theoretical kinetics tools to characterize gas phase reactivity in molecular systems across the periodic table and/or (b) develop and interpret detailed coupled kinetics models to predict
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materials employed in energy conversion and storage in aqueous electrolytes. Experimental work will involve design, characterization, and degradation studies of model interfaces that can help elucidate
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(density functional theory, ab initio or classical molecular dynamics) modeling of metal-organic complexes and clusters, under explicit and implicit solvent. 2) Scientific programming (e.g. C++, fortran