The Molecular Sciences Software Institute

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The Molecular Sciences Software Institute

Daniel Crawford 

Virginia Tech, USA

The Molecular Sciences Software Institute (MolSSI) was established in 2016 to serve as a nexus for science, education, and cooperation for the global computational molecular sciences community – a broad domain that includes quantum chemistry, bio-/macro-molecular simulation, and computational materials science.  Guided by leading representatives from across the domain, the MolSSI develops and deploys advanced software cyberinfrastructure, community-wide standards for code and data interoperability, and an educational initiative that reaches a large, diverse audience of undergraduate, graduate, and postdoctoral students.  The MolSSI has enabled new science and broader impacts and is training the next generation of researchers for fields interconnected at the molecular level. This lecture will provide an overview of the MolSSI and its numerous software infrastructure projects designed to benefit the molecular sciences.