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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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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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with near-DFT fidelity. Perform MD simulations to quantify thermal transport across interfaces and evaluate phonon coupling/phonon scattering mechanisms. Derive design rules relating synthesis to thermal
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ML surrogate models for electronic structure and electrostatic potential in 2D materials Perform large-scale materials simulations (e.g., DFT, tight-binding, continuum models) to generate training and
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areas of nanoscience and nanotechnology. Job Title: Senior Postdoctoral Researcher Research area or group: Theory and Simulation Group Description of Group/Project: The Theory and Simulation Group has
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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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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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. Transcripts If already awarded, a copy of your Ph.D. diploma. Candidates can be currently enrolled to apply, but must have proof of degree conferral by the position start date in December, 2025. After
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Contribute to the preparation of scientific and technical reports. Develop and apply methodologies based on Density Functional Theory (DFT) to complex systems. Support simulation tasks and results analysis