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strongly recommended. • High Performance Computing. • Experience with High Throughput Calculations will be valued but it is not essential. • Previous knowledge of Density Functional Theory (DFT) and
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in Journal Citation Indexed (JCR) journals. Qualification or experience in any of the following disciplines: Life Cycle Assessment, Density Functional Theory or Materials Experimentation
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disciplines: Life Cycle Assessment, Density Functional Theory or Materials Experimentation & Characterization. WHAT WE OFFER A competitive and negotiable salary, commensurate with experience and expertise
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and
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or equivalent. 2. Demonstrable experience in either atomistic molecular dynamics simulations or quantum chemistry/density functional theory calculations 3. Demonstrable programming skills 4. Strong
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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batteries. The main objective is to develop a molecular-level understanding of electrolyte degradation and to predict chemical stability by constructing reaction networks based on density functional theory
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characterization with advanced computational chemistry tools, including molecular dynamics, density functional theory and Grand Canonical Monte Carlo simulations. Position Requirements A recent or soon-to-be
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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Physics, Materials Science, Chemistry, Chemical Engineering, Applied Physics, or a closely related field with a focus on computational materials modeling. Density Functional Theory (DFT) for surfaces and