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different types of simulations at different scales. For the atomic level, you will use atomistic molecular dynamics simulations, which are so expensive computationally that supercomputers are needed
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the Forschungsverbund Berlin (https://www.fv-berlin.de/ ) and the Leibniz Association www.leibniz-gemeinschaft.de . You can find more details on the institute webpage: www.ikz-berlin.de . The Section Fundamental
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practices. Preferred Knowledge, Skills, and Abilities: You have experience with electronic-structure or atomistic simulation workflows (e.g., VASP, Quantum ESPRESSO) and associated Python tools such as ASE
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to leverage quantum computing and quantum sensing technologies for the development and optimization of next-generation batteries. Quantum computing bears tremendous potential in the simulation of interactions
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+ 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable PhD candidate to develop and
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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML
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nonequilibrium conditions at different length and time scales. Complementary, the candidate will be involved in the comparison between experiments and molecular dynamics simulations of the atomistic dynamics
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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, Chemistry, or a related discipline. Required Certification, Licensure/Other Credentials Preferred Qualifications Knowledge/Skills/Abilities Experience in scientific programming, atomistic simulations and/or