Vortrag (20)

41.
Vortrag
Janßen, J.; Hickel, T.; Neugebauer, J.: pyiron – an integrated development environment for ab initio thermodynamics. AMS Seminar, virtual, Bochum, Germany (2020)
42.
Vortrag
Zhao, H.; Gault, B.; De Geuser, F.; Huber, L.; Lu, W.; Peter, N. J.; Ponge, D.; Raabe, D.: Segregation and precipitation at grain boundaries in an Al-Zn-Mg-Cu alloy. 17th International Conference on Aluminium Alloys ICAA 2020, virtual, Grenoble, France (angenommen)
43.
Vortrag
Raabe, D.; Li, Z.; Ikeda, Y.; Dutta, B.; Körmann, F.; Neugebauer, J.: Thermodynamics and symmetry effects in high entropy alloys. Third International Conference on High Entropy Materials, Berlin, Germany (2020)
44.
Vortrag
Janßen, J.; Hickel, T.; Neugebauer, J.: Automated ab-initio Determination of Materials Properties at finite Temperatures with pyiron. NIST Workshop, virtual, Rockville, MD, USA (2020)
45.
Vortrag
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Insights into the stability and reactivity of solid/liquid interfaces from ab initio calculations. 71st Annual Meeting of the International Society of Electrochemistry "Electrochemistry towards Excellence", virtual, Belgrade, Serbia (2020)
46.
Vortrag
Mendive-Tapia, E.: Ab initio origin of the short period magnetism of MnGe from thermally fluctuating local moments. Quantum Theory of Materials Seminar, virtual, Jülich, Germany (2020)
47.
Vortrag
Todorova, M.: Artificial Photosynthesis. BMBF-DOE bilateral workshop, Virtual Discussion, Berlin, Germany (2020)
48.
Vortrag
Neugebauer, J.; Lymperakis, L.; Janßen, J.; Huber, L.; Hickel, T.: Modeling crystal growth and materials design in high dimensional chemical and structural configuration spaces. German Conference on Crystal Growth DKT 2020, München/Garching, Germany (2020)
49.
Vortrag
Neugebauer, J.; Janßen, J.; Huber, L.; Ikeda, Y.; Körmann, F.; Grabowski, B.; Hickel, T.; Shapeev, A.: Materials Design in High Dimensional Chemical and Structural Configuration Spaces. TMS 2020 Annual Meeting & Exhibition, San Diego, CA, USA (2020)
50.
Vortrag
Körmann, F.; Ikeda, Y.; Srinivasan, P.; Dutta, B.; Neugebauer, J.; Grabowski, B.; Kostiuchenko, T.; Shapeev, A.: Ab Initio Phase Stabilities of High Entropy and Chemically Complex Alloys. TMS Annual Meeting, San Diego, CA, USA (2020)
51.
Vortrag
Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event, Castle Ringberg, Tegernsee (2020)
52.
Vortrag
Zhao, H.; Huber, L.; Lu, W.; Peter, N. J.; An, D.; De Geuser, F.; Dehm, G.; Ponge, D.; Neugebauer, J.; Gault, B. et al.; Ponge, D.; Raabe, D.: Interplay of chemistry and faceting at grain boundaries in a model Al-alloy. TMS Annual Meeting & Exhibition, San Diego, CA, USA (2020)
53.
Vortrag
Hickel, T.; McEniry, E.; Nazarov, R.; Dey, P.: Ab initio basierte Simulation zur Wasserstoffversprödung in hoch-Mn Stählen. Seminar der Staatlichen Materialprüfungsanstalt Darmstadt, Institut für Werkstoffkunde, Darmstadt, Germany (2020)
54.
Vortrag
Hickel, T.; Aydin, U.; Sözen, H. I.; Dutta, B.; Pei, Z.; Neugebauer, J.: Innovative concepts in materials design to boost renewable energies. Seminar of Institute for Innovative Technologies, SRH Berlin University of Applied Sciences, Berlin, Germany (2020)

Lehrmaterial (3)

55.
Lehrmaterial
Hickel, T.: Introduction to Quantum Mechanics in Solid-State Physics. Vorlesung: WS 2020/2021, Ruhr-Universität Bochum, 2020-10 - 2021-03
56.
Lehrmaterial
Neugebauer, J.: Electronic Structure Methods. Vorlesung: SURMAT T3 Module Simulations and Modelling Lecture, WS 2020/2021, Ruhr-Universität Bochum, 2020-10 - 2021-03
57.
Lehrmaterial
Zaefferer, S.; Hickel, T.; Song, W.: Microstructures, Microscopy and Modelling. Vorlesung: SS 2020, RWTH Aachen University, 2020-04 - 2020-07

Hochschulschrift - Doktorarbeit (3)

58.
Hochschulschrift - Doktorarbeit
Zendegani, A.: Ab initio based study of the thermodynamics of complex intermetallics. Dissertation, Ruhr-Universität Bochum (2020)
59.
Hochschulschrift - Doktorarbeit
Surendralal, S.: Development of an ab initio computational potentiostat and its application to the study of Mg corrosion. Dissertation, Ruhr Universität Bochum (2020)
60.
Hochschulschrift - Doktorarbeit
Yoo, S.-H.: Development of a computational framework to determine the chemical and thermodynamic stability of electrode materials in an electrochemical environment. Dissertation, Ruhr-Universität Bochum (2020)
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