Journal Article (22)

21.
Journal Article
Schaarschmidt, J.; Yuan, J.; Strunk, T.; Kondov, I.; Huber, S. P.; Pizzi, G.; Kahle, L.; Bolle, F. T.; Castelli, I. E.; Vegge, T. et al.; Hanke, F.; Hickel, T.; Neugebauer, J.; Rego, C. R. C.; Wenzel, W.: Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
22.
Journal Article
Tung, P.-Y.; McEniry, E.; Herbig, M.: The role of electric current in the formation of white-etching-cracks. Philosophical Magazine 101 (1), pp. 59 - 76 (2021)

Talk (11)

23.
Talk
Bitzek, E.; Hickel, T.; Zimmermann, M.: NFDI-MatWerk - an overview and discussion of the next steps. Webinar MaterialsWeek2021, online (2021)
24.
Talk
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)
25.
Talk
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)
26.
Talk
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)
27.
Talk
Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event (2021)
28.
Talk
Janßen, J.; Neugebauer, J.: pyiron – an integrated development environment for material science. CECAM Workshop, virtual, Lausanne, Switzerland (2021)
29.
Talk
Janßen, J.; Hickel, T.; Neugebauer, J.: pyiron – an integrated development environment for ab initio thermodynamics. Potential Workshop, ICAMS, virtual, Bochum, Germany (2021)
30.
Talk
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)
31.
Talk
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)
32.
Talk
Freysoldt, C.; Hickel, T.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
33.
Talk
Hickel, T.; Freysoldt, C.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)

Teaching (1)

34.
Teaching
Zaefferer, S.; Hickel, T.; Song, W.: Microstructures, Microscopy and Modelling. Lecture: SS 2021, RWTH Aachen University, 2021-04 - 2021-07

Thesis - PhD (2)

35.
Thesis - PhD
Janßen, J.: pyiron – an integrated development environment for ab-initio thermodynamics. Dissertation, Paderborn University, Germany (2021)
36.
Thesis - PhD
Lochner, F.: Interplay of Real Space and Electronic Structure for Iron-Based Superconductors: An ab initio Study. Dissertation, Ruhr-Universität Bochum, Germany (2021)
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