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, the postdoctoral researcher will be responsible for contributing to the development of advanced methodologies for predicting crystal structures (CSP) based solely on their chemical composition and atomistic modeling
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substrate effects using a combination of TB-SMA and Tersoff potentials. Perform atomistic simulations (molecular dynamics and Monte Carlo) to generate diverse and realistic structural configurations
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for candidates with interests in multiscale simulations of complex physical phenomena, from the atomistic/electronic scale to mesocopics and beyond. Of particular interest is the development and application
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states, charge density waves, superconductivity, and quantum magnetism - Kagome materials and superconducting hydrides - Machine learning interatomic potentials (MLIPs) and data-driven atomistic
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on multiscale study of hydrogen embrittlement in steels. The primary mission of the postdoc is to support experimental efforts as well as large scale simulations by means atomistic simulations. Designing and
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Université; and B. Laïk, UPEC) Where to apply Website https://emploi.cnrs.fr/Candidat/Offre/UMR8247-DIMMER0-007/Candidater.aspx Requirements Research FieldChemistryEducation LevelPhD or equivalent Research
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Entitlement: 33 days annual leave, plus 9 buildings closed days for all full time staff. Use our total rewards calculator: https://www.hw.ac.uk/about/work/total-rewards-calculator.htm to see the value
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addressable spin qubits in molecules as a powerful platform for combining optical/microwave spin manipulation with the atomistic control afforded by chemistry [e.g., Science, 370, 1309 (2020); Phys. Rev. X 12
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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel