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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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problems in bioinformatics. This project is part of the Faculty of Science's new Quantum Simulation for Molecular and Material Design (Q-MMD) programme. You will join a growing interdisciplinary team at
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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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modeling, molecular interactions/energetics, and tools such as AlphaFold, Rosetta, or MD simulations. Solid programming skills (Python); familiarity with machine learning is a plus. For both profiles, we
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discipline. Strong background in electronic structure methods and molecular simulations. Experience with post-Hartree-Fock methods (ideally CC and EOM-CC) and with quantum embedding strategies is highly
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discipline. Strong background in electronic structure methods and molecular simulations. Experience with post-Hartree-Fock methods (ideally CC and EOM-CC) and with quantum embedding strategies is highly
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electron tunneling between the edges of graphene electrodes, with the goal of distinguishing individual molecules, or individual molecular building blocks. The work will involve the following elements