Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (qcengine): Automation and Interoperability among Computational Chemistry Programs. Daniel G. A. Smith , Annabelle T. Lolinco , Zachary L. Glick , Jiyoung Lee , Asem Alenaizan , Taylor A. Barnes , Carlos H. Borca , Roberto Di Remigio , David L. Dotson , Sebastian Ehlert , Alexander G. Heide , Michael F. Herbst , Jan Hermann , Colton B. Hicks , Joshua T. Horton , Adrian G. Hurtado , Peter Kraus , Holger Kruse , Sebastian J. R. Lee , Jonathon P. Misiewicz , Levi N. Naden , Farhad Ramezanghorbani , Maximilian Scheurer , Jeffrey B. Schriber , Andrew C. Simmonett , Johannes Steinmetzer , Jeffrey R. Wagner , Logan Ward , Matthew Welborn , Doaa Altarawy , Jamshed Anwar , John D. Chodera , Andreas Dreuw , Heather J. Kulik , Fang Liu , Todd J. Martinez , Devin A. Matthews , Henry F. Schaefer , Jiri Sponer , Justin M. Turney , Lee-Ping Wang , Nuwan De Silva , Rollin A. King , John F. Stanton , Mark S. Gordon , Theresa L. Windus , C. David Sherrill , Lori A. Burns The Journal of Chemical Physics(2021)
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