grant
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure Simulations
NSFUS FederalResearch GrantScience FoundationCT
Description preview
This project builds the next-generation Python Simulations of Chemistry Framework (PySCF) software platform to make electronic structure simulations faster, more robust, and more accessible to computational scientists across many disciplines. The new cyberinfrastructure will enable researchers to better understand the behavior of complex molecules…
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