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SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...
dynamics (MD) simulations of different materials families composed of Ti and C. Titanium carbides, for example, exhibit exceptional hardness, high melting point, wear and abrasion resistance, and many other
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Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic descriptors
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apply ultra-fast machine-learning interatomic potentials (UFPs, Xie et al., npj Comput. Mater., 2023, 10.1038/s41524-023-01092-7 ) for long, multi-million-atom molecular dynamics (MD) simulations
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have a strong track record in bioinformatics to analyze bulk and single-cell RNA sequencing, proteomics, and lipidomics. Our Research Our team investigates the molecular pathways through which immune
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charge and energy transfer in molecular (and mesoscopic) systems, behavior of molecules in strong fields, dynamics of open quantum systems, and more. This project offers an excellent opportunity to work in
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principles molecular dynamics simulations. You will contribute to the development of novel work flows as well as to the training, testing and application of latest neural network methodologies. Applications
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, and play an important part in accelerating the progression towards net zero in the UK and globally. In this PhD project, the student will lead on computational methods, including molecular dynamics (MD
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Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg | Magdeburg, Sachsen Anhalt | Germany | 17 days ago
Job Offer from December 01, 2025 The Department of Molecular Simulations and Design (Prof. Dr. Matthias Stein) at the Max Planck Institute for Dynamics of Complex Technical Systems is inviting
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experiments, mapping charge and energy transfer in molecular (and mesoscopic) systems, behavior of molecules in strong fields, dynamics of open quantum systems, and more. This project offers an excellent
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for the simulation of non-adiabatic exciton transfer dynamics in light-harvesting complexes. The research will use a combination of quantum and molecular dynamics simulations, electronic structure calculations, and