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- Autonomous University of Madrid (Universidad Autónoma de Madrid)
- Baylor University
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- Chalmers University of Technology
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | 2 months ago
and storage. Your tasks # Performing DFT, MD, Wannier, Phonon calculations # Collaborating with peers including experimental project partners # Publishing results in academic and peer-reviewed journals
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on 2D materials and nanomaterials. Theoretical design of materials (DFT calculations). Calculation of the magnetic properties of the studied systems. Characterization of nanostructures and 2D materials
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health products, e.g. toothpaste. The simulations will utilize molecular dynamics and first principles DFT codes to model enamel surfaces and their interactions with the environment of the mouth. You will
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University of Girona (UdG) - Institute of Computational Chemistry and Catalysis (IQCC) | Spain | 3 months ago
, preferably in Python. Additional skills and experience considered positively:Experience in quantum mechanical calculations (e.g. DFT) Experience in molecular dynamics simulations Familiarity with Linux/Unix
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Chemistry or Material Sciences Specific Requirements · Knowledge of electrochemical processes. · Experience in materials simulation. · Knowledge of electronic structure methods (DFT, GW, etc.). · Previous
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challenging goal for several years. Meritorious qualifications: Periodic DFT on solids, with VASP, Quantum ESPRESSO, CP2K, or similar. Knowledge of band structures, densities of states, phonons. Molecular
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materials, leveraging informatics-driven approaches (machine learning, high-throughput ab initio, data-driven discovery) alongside advanced computational methods (e.g., DFT+DMFT, GW, quantum embedding