62949 2025 eng lecture 0 -- -- -- This talk introduced the participants to phonons and how they are typically computed. Then, I introduced the participants to the harmonic phonon, the Grüneisen, and the quasi-harmonic workflow that allows the computation of properties related to phonons. I also had detailed examples of how these workflows can be used in practice. Beyond this, I showed how these workflows can be used to automatically benchmark interatomic potentials and use them for the development of such potentials. "Automated ab initio workflows with Jobflow and Atomate2" CECAM Flagship school Lausanne, Switzerland 17.03.2025 20.03.2025 1 publish false true Janine George eng uncontrolled Automation eng uncontrolled Phonons eng uncontrolled Thermal Conductivity eng uncontrolled Machine Learning eng uncontrolled Software Development eng uncontrolled Machine Learned interatomic Potentials Ingenieurwissenschaften und zugeordnete Tätigkeiten 6 Materialchemie Material Datei im Netzwerk der BAM verfügbar ("Closed Access") Präsentation 6.0 Abteilungsleitung und andere Materialdesign