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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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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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prerequisite (i.e., familiarity with linux, bash, conda, python). Experience in molecular dynamics simulation, protein chemistry or phylogenetics would be major assets. An interest in developing wet lab skills
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multiple scales, while Multiobjective optimization strategies ensure improvements in efficiency across various biomanufacturing scales. Expected results: 1) Development of innovative bio-based production
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”. In: J. Chem. Phys. 158.3 (2023). [5] : Kästner, J. “Umbrella sampling”. Comp. Mol. Sc., (2011), 1(6), p. 932-942. Techniques/methods in use: Molecular dynamics, Ab-Initio Molecular Dynamics
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thermodynamics. • Investigate molecular recognition mechanisms, including lectin clustering and complex stoichiometry, supported by mass photometry and molecular dynamics simulations. • Integrate biophysical and
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Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description The Molecular Plasmonics group at the Eindhoven University of Technology has
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–specific ways, and their downstream biological effects remain poorly understood. This project tackles this fundamental gap — by building computational models that simulate what goes wrong in the brain, one
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to perform pioneering work establishing the cellular basis of posture coding in the neocortex. The successful candidate will perform neural recordings in a laboratory setting while tracking multiple aspects