Siemer, N.: Metadata-schemes and RDM handbook in SFB1394. Workshop "Research-data management, machine learning and material informatics within the SFB/TR103", RUB, virtual, Bochum, Germany (2021)

Hickel, T.; Janßen, J.; Sözen, H. I.; Sreekala, L.; Körmann, F.; Surendralal, S.; Todorova, M.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. ICAMS Advanced Discussions, virtual, Bochum, Germany (2021)

Neugebauer, J.: First principles first. ICAMS Advanced Discussions 2021: Recent trends in materials design, Virtual Conference, Bochum, Germany (2021)

Neugebauer, J.: Panel discussion leader. ICAMS Advanced Discussions 2021: Recent trends in materials design, Virtual Conference, Bochum, Germany (2021)

Neugebauer, J.; Zendegani, A.; Hickel, T.: Defect phase diagrams as novel tool to understand and design tailored defect structures in advanced steels. Thermec2021, Virtual Meeting, Vienna, Austria (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICTP-Workshop on “Physics and Chemistry of Solid/Liquid Interfaces for Energy Conversion and Storage”, Virtual Meeting, Trieste, Italy (2021)

Neugebauer, J.: Materials design by exploiting high-dimensional chemical and structural configuration spaces. Kolloquium im Rahmen des SFB 986, Technische Universität Hamburg-Harburg, Online Meeting, Hamburg-Harburg, Germany (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Hydrogen at electrified solid/liquid interfaces – insights from ab initio molecular dynamics simulations. TYC mini-workshop on “Physics and Chemistry of Solid/Liquid Interfaces”, online, London, UK (2021)

Lymperakis, L.: Νanomaterials from first principles. Seminar: Programme of Postgraduate course Materials Physics and Technology, Department of Physics, Aristotle University of Thessaloniki, Thessaloniki, Greece (2021)

Hickel, T.; Janßen, J.; Sözen, H. I.; Körmann, F.; Surendralal, S.; Todorova, M.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Thermec'2021, Virtual Conference, Graz, Austria (2021)

Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event (2021)

Yoo, S.-H.: Electronic passivation schemes for surfaces with spontaneous polarization and for low symmetry semiconductor surfaces in DFT slab calculations. Materials Design Group Seminar, Department of Materials, Imperial College London, virtual, London, UK (2021)

Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Zhou, X.; Kamachali, R. D.; Stephenson, L.; Kontis, P.; Mianroodi, J. R. et al.; Gault, B.; Thompson, G. B.; Neugebauer, J.: Structure, chemistry and thermodynamics of Lattice Defects. Colloquium of the Department of Materials Science and Engineering, Ohio State Universitry, online, Columbus, OH, USA (2021)

Janßen, J.; Neugebauer, J.: pyiron – an integrated development environment for material science. CECAM Workshop, virtual, Lausanne, Switzerland (2021)

Janßen, J.; Hickel, T.; Neugebauer, J.: pyiron – an integrated development environment for ab initio thermodynamics. Potential Workshop, ICAMS, virtual, Bochum, Germany (2021)

Neugebauer, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Freysoldt, C.; Todorova, M.: Design and application of an ab initio electrochemical cell. virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, Berlin, Germany (2021)

Neugebauer, J.; Ikeda, Y.; Körmann, F.: Materials design based on efficient sampling of high dimensional chemical and thermodynamic configuration spaces. Workflows for Atomistic Simulations, Ruhr-Universität Bochum, Online Meeting, Bochum, Germany (2021)

Neugebauer, J.; Janßen, J.: Pyiron – an integrated development environment for simulation workflows. CECAM Summer School in 2020: “Simulation Workflows in Materials Modelling (SWiMM 2020)”, CECAM HQ – École Polytechnique Fédérale de Lausanne, Virtual Meeting, Lausanne, Switzerland (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Freysoldt, C.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. TMS 2021 Meeting, delivered online, Orlando, FL, USA (2021)

Neugebauer, J.: Ab initio guided design of compositionally complex alloys. Materials for energy, Digital Workshop, Bochum, Germany (2021)