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Help accelerate the electrification of industry by combining molecular and process-scale simulations for high-temperature thermal energy storage. Job description Carbon-based chemicals are essential
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molecular dynamics simulations, in close collaboration with leading European research institutes and steel industry partners. Job description At TU Delft, you will contribute to a transformative research
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at the atomic scale, using density functional theory-accurate machine-learned potentials and molecular dynamics simulations, in close collaboration with leading European research institutes and steel industry
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postdoctoral researcher will develop and apply advanced simulation techniques, and data-driven approaches to explore complex biophysical phenomena at the cell membrane. This role provides a platform for
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, molecular weight and molecular-weight distribution, moisture and residual-acid content, and stability and energy content – and to lead a comparative measurement study (round-robin) between KTH, FOI and
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will participate in conducting multiscale modeling such as quantum mechanics density functional theory calculations, molecular dynamics simulations, Monte Carlo simulations, and/or machine learning
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Duties: Perform and analyze ReaxFF reactive molecular dynamics simulations on 2D-material growth Connect the results from these simulations to data science methods and Computational Fluid Dynamics Perform
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to scale-up and validation of process engineering. CBS projects aim at an in-depth understanding of the molecular mechanisms of all transformations in order to propose new original alternatives in terms
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understanding of the molecular mechanisms of all transformations in order to propose new original alternatives in terms of efficiency, environmental friendliness and sustainability. Job Description We are seeking
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—integrating first-principles simulations with machine learning—for chemical and biological applications. You will design and implement models ranging from molecular to process scales, develop model-predictive