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Field
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within the M2i framework Your work environment You will be part of Team Dey within the Computational Materials Science section at TU Delft. This team focuses on atomistic simulations to investigate
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cover letter to be sent to: [email protected] Profil du candidat Diplôme préparé : Bac+5 – Diplôme Ecole d’ingénieurs Compétences scientifiques : atomistic simulations, statistical physics
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reactions, catalyst surfaces and interfaces, reaction mechanisms, activity and selectivity develop reproducible atomistic simulation and high-throughput workflows using Python, ASE and relevant DFT software
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and application of methods for simulating magnetism, particularly atomistic and multiscale simulations. The successful candidate will have the opportunity to collaborate with leading experimental and
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National Energy Technology Laboratory (NETL) | Pittsburgh, Pennsylvania | United States | about 3 hours ago
Materials. The learning objectives for this project are: (1) use atomistic simulation software and AI/ML techniques on sensing materials database development, (2) analyze the modeling results, and (3) learn
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interiors. This work will rely on large-scale atomistic simulations paired with machine-learning interatomic potentials. Duties: ● The postdoc will generate density functional theory reference data, use
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at least one mainstream deep learning framework (e.g., PyTorch, JAX) • Expertise in (atomistic) thermodynamic, kinetic simulations or computational chemistry • Ability to independently design and
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. Major duties include: Calculate interaction energies from density-function theory Train machine learning models/potentials Conduct atomistic simulations to explore adsorption/diffusion Analyze
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of Prof. Georg Madsen, with regular shorter research stays at Aarhus University. The project combines density functional theory (DFT), machine-learned force fields and atomistic simulations to uncover how
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Domaine Mathématiques, information scientifique, logiciel Contrat Post-doctorat Intitulé de l'offre Using generative AI to simulate chemically disordered nuclear materials at the atomic level H/F