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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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, MD simulation, DFT modeling) Numerical methods in mechanics of materials for fatigue If interested, please send your application materials with the subject line “Postdoc in AM” to Dr. Amir Mostafaei
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related field Preferred Qualifications: Expertise in quantum chemistry of biomolecular or metal-coordination systems Experience with DFT, correlated wavefunction methods (e.g., MP2, CCSD(T)), and/or
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(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A
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(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A
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yield optimization. Exposure to quantum chemistry (DFT) and molecular simulations is a plus. Experience with cloud computing and/or high-performance computing (HPC) resources. Application Process
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. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
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Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | 29 days ago
systems, solid state physics, classical and/or quantum electrodynamics, quantum chemistry (e.g. DFT or wave-function based approaches), molecular dynamics, rate theory Desired skills and qualifications
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. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
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-scale research facilities, such as synchrotrons, for EXAFS and high-pressure XPS measurements. We also work in close partnership with the CatTheory group, using DFT-calculations and microkinetic modelling