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have expertise and experience in executing density functional theory (DFT) calculations, microkinetic modeling, kinetic Monte Carlo simulations, and Machine learning methods. Minimum Qualifications: Must
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deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
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to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular dynamics, and materials chemistry. Strong
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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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paramagnetic compounds, modelling organometallic mechanisms, as well as basic density functional theory, is desired, but not essential. Excellent communication skills and experience of writing up research
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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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) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program based on Density Functional Theory, which can describe the atomic and electronic properties of systems
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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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), Arabic, Tagalog, Farsi, French, or/and Yoruba. Position Overview The postdoctoral research associate will work closely with the Ko Research Group to develop novel theories and algorithms for studying