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metal dichaocogenides (TMDs) model the phononic bands of the host material with e.g. density functional theory (DFT) calculate the effect of a strain field on the electronic bands and the phonon modes
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for 2 years You will lead and manage your own research within the project, developing and applying advanced electronic structure and molecular simulation methods. The work will involve transition-metal
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computational condensed matter physics. We seek a motivated researcher with expertise in density functional theory (DFT) to study emergent phenomena in quantum materials. Research Areas - Correlated electronic
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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maintenance of the FAIR Knowledge Base, ensuring all experimental and simulation data is searchable and reusable. Professional-grade Python skills with a focus on maintenance. You will be responsible
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perform numerical simulations. Key Requirements for Postdoc: Requires a PhD in Physics or closely related disciplines. Experience with numerical software (VASP, Quantum Espresso) and programming (e.g
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Max Planck Institute for Extraterrestrial Physics, Garching | Garching an der Alz, Bayern | Germany | 23 days ago
dynamics simulations and enhanced sampling methods for the study of rare events, such as surface reactions and surface dynamics for astrophysically relevant conditions; simulating pure and mixed ices
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of chemically storing and releasing hydrogen, using methanol as a reservoir. Main activities: • Utilize global optimization codes and perform DFT calculations on supercomputers. • Analyze results and
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the Job related to staff position within a Research Infrastructure? No Offer Description Postdoc in Machine Learned Semiconductor Material Properties for Quantum Transport Simulations The simulation
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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations