Accurate and efficient QM / MM molecular dynamics on 86 , 016 cores of SuperMUC Phase 2
نویسندگان
چکیده
Ferdinand Jamitzky Leibniz Supercomputing Centre (LRZ) Boltzmannstrasse 1 85748 Garching, Germany [email protected] Helmut Satzger Leibniz Supercomputing Centre (LRZ) Boltzmannstrasse 1 85748 Garching, Germany [email protected] Gerald Mathias Ludwig-MaximiliansUniversität München, Lehrstuhl für BioMolekulare Optik Oettingenstrasse 67 80538 München, Germany [email protected]
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