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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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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