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the scientific simulation, molecular modeling, and data analysis software directory

Tag: Nanostructure modeling

NWChem

NWChem is a computational chemistry package designed to run on high-performance parallel supercomputers. It can be used to investigate biomolecules, nanostructures, and solid-state materials, their ground and excited-states. It can account also for relativistic effects. It scales from one to thousands of processors. License: Open Source OS: Linux and Mac Rate It:   Is there […]

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