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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and

Daniel G A Smith1, Annabelle T Lolinco2, Zachary L Glick3

  • 1Molecular Sciences Software Institute, Blacksburg, Virginia 24060, USA.

The Journal of Chemical Physics
|December 2, 2021
PubMed
Summary

Community efforts in computational molecular sciences (CMS) are advancing with modular interfaces. The Quantum Chemistry Common Driver and Databases (QCDB) project enhances software interoperability for broader functionality.

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