TY - CONF A1 - George, Janine T1 - Automation and Workflows in Computational Materials Science N2 - This talks describes why we need automation and workflows in materials informatics. It introduces tools to automatize tasks in computational materials science. Furthermore, a bonding analysis and a phonon workflow are presented. T2 - Seminar in Theoretical Chemistry Group atFU Berlin CY - Berlin, Germany DA - 06.12.2022 KW - Automation KW - Workflows KW - Density functional theory PY - 2022 AN - OPUS4-56524 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -