Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
借助 AiiDAlab Quantum ESPRESSO 应用程序,原子材料计算变得触手可及。
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doi:10.1038/s41524-025-01936-4
Wang, Xing; Bainglass, Edan; Bonacci, Miki; Ortega-Guerrero, Andres; Bastonero, Lorenzo; Bercx, Marnik; Bonfà, Pietro; De Renzi, Roberto; Du, Dou; Gillespie, Peter N O; Hernández-Bertrán, Michael A; Hollas, Daniel; Huber, Sebastiaan P; Molinari, Elisa; Onuorah, Ifeanyi J; Paulish, Nataliya; Prezzi, Deborah; Qiao, Junfeng; Reents, Timo; Sewell, Christopher J; Timrov, Iurii; Yakutovich, Aliaksandr V; Yu, Jusong; Marzari, Nicola; Pignedoli, Carlo A; Pizzi, Giovanni