Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
量子化学通用驱动程序和数据库 (QCDB) 以及量子化学引擎 (QCEngine)：计算化学程序之间的自动化和互操作性
期刊:Journal of Chemical Physics
影响因子:3.1
doi:10.1063/5.0059356
Smith, Daniel G A; Lolinco, Annabelle T; Glick, Zachary L; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A; Borca, Carlos H; Di Remigio, Roberto; Dotson, David L; Ehlert, Sebastian; Heide, Alexander G; Herbst, Michael F; Hermann, Jan; Hicks, Colton B; Horton, Joshua T; Hurtado, Adrian G; Kraus, Peter; Kruse, Holger; Lee, Sebastian J R; Misiewicz, Jonathon P; Naden, Levi N; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B; Simmonett, Andrew C; Steinmetzer, Johannes; Wagner, Jeffrey R; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D; Dreuw, Andreas; Kulik, Heather J; Liu, Fang; Martínez, Todd J; Matthews, Devin A; Schaefer, Henry F 3rd; Šponer, Jiří; Turney, Justin M; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A; Stanton, John F; Gordon, Mark S; Windus, Theresa L; Sherrill, C David; Burns, Lori A
