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- Delft University of Technology (TU Delft)
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thermal energy storage using a combination of molecular dynamics and process-scale simulations. By linking molecular-level understanding to engineering-scale performance, you will contribute
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simulation tools (molecular dynamics, dissipative particle dynamics etc.) to understand the dynamic properties of ionic liquids. The postdoc will also perform all-atom MD simulations to extract key chemical
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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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of experimental datasets with modeling and simulation frameworks Dynamic simulation and digital twins for industrial chemical processes Process optimization and model-based decision support tools Development
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molecular and quantum materials containing lanthanide centers poses significant challenges due to the need to describe spin-orbit coupling (SOC), scalar relativistic effects, and both dynamic and non-dynamic