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Your Job: The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC
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, IBI-1: Institute of Biological Information Processing – Molecular and Cellular Physiology; JSC: Jülich Supercomputing Centre) and from the US (IBM Research and Michigan State University). Specific tasks
Searches related to molecular dynamic simulation
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