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into polymer matrices. - Use of luminescent species for applications such as sensors. - Knowledge of DFT‑type simulation methods for modeling molecular properties. - Experience writing scientific articles and
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performing DFT/MLIP molecular dynamics simulations; - Analyzing and exploiting results, as well as writing activity reports and scientific publications and presenting results at conferences and working groups
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to compute the predicted ZTs via first principles calculations. - Computer simulations: ML + DFT - Scripting (Python) - Analysis of the results + writing publications - The position is part of an ANR-DFG
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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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Sequestration by demonstrating at least some of the following competencies. Experimental development, testing, and demonstration of novel CCUS technologies Process simulation, cost, life cycle, and social
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based on salt melts. The methods are primarily molecular dynamics simulations and small DFT calculations, but the software COSMO-RS may also be used. The postdoctoral fellow will be part of Prof. Patrik
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physics scale with the component-level scale to simulate the thermomechanical response of the full first wall/blanket structures during fusion reactor operation. Villanova is a Catholic university sponsored
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advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
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the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate
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Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department of Physics, City