Density functional theory for computing properties of materials (background and intro to DFT, key parameters and popular codes, basic properties and computation principles: formation energies, defect energies, elastic moduli, phonons)
Density functional theory for computing properties of materials (background and intro to DFT, key parameters and popular codes, basic properties and computation principles: formation energies, defect energies, elastic moduli, phonons)
Jörg Neugebauer (MPIE Düsseldorf)
Jörg Neugebauer (MPIE Düsseldorf)
<iframewidth="560"height="315"src="https://www.youtube.com/embed/li7GL1KeaYs"title="YouTube video player"frameborder="0"allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture"allowfullscreen></iframe>
### <font style="color:#B71C1C" face="Helvetica" > Tutorial II </font>
### <font style="color:#B71C1C" face="Helvetica" > Tutorial II </font>
Workflow management with pyiron (motivation, intro to workflows and pyiron, computation of the properties that were introduced in the first tutorial with pyiron)
Workflow management with pyiron (motivation, intro to workflows and pyiron, computation of the properties that were introduced in the first tutorial with pyiron)