Publications of Tilmann Hickel

Neugebauer, J.; Janßen, J.; Hickel, T.: Automated uncertainty analysis and quantification for high-precision DFT calculations. Workshop "Precision Quantification in DFT", Louvaine-la-Neuve, Belgien (2019)

Tehranchi, A.; Hickel, T.; Neugebauer, J.: Atomistic simulations of hydrogen-defect interactions in metals. Workshop "Hydrogen in Metals - current understanding and future needs", St Anne's College, Oxford, UK (2019)

Hickel, T.; Janßen, J.; Sözen, H. I.; Körmann, F.; Surendralal, S.; Todorova, M.; Lysogorskiy, Y.; Drautz, R.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. DPG Frühjahrstagung der Sektion Kondensierte Materie, Regensburg, Germany (2019)

Hickel, T.; Dey, P.; McEniry, E.; Yao, M.; Herbig, M.; Lipińska-Chwałek, M.; Liebscher, C.; Mušić, D.; Hallstedt, B.; Haase, C. et al.; Song, W.; Scheu, C.; Ponge, D.; Raabe, D.; Neugebauer, J.: κ carbide microstructures and the role of interfaces in high-Mn lightweight steels. High-Mn Steel 2019, Aachen, Germany (2019)

Neugebauer, J.; Todorova, M.; Grabowski, B.; Hickel, T.: Modelling structural materials in realistic environments by ab initio thermodynamics. Hume-Rothery Award Symposium, TMS2019 Annual Meeting and Exhibition, San Antonio, TX, USA (2019)

Hickel, T.: Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Castle Ringberg, Tegernsee (2019)

Hickel, T.; Zendegani, A.; Körmann, F.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. TMS 2019 Annual Meeting, San Antonio, TX, USA (2019)

Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploiting large ab initio data spaces to design materials. Openning of Christian Doppler Laboratory for nanoscale phase transformations, Linz, Austria (2019)

Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploration of large ab initio data spaces to design materials with superior mechanical properties. Physics and Theoretical Division Colloquium, Los Alamos, NM, USA (2019)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. DPG-Frühjahrstagung 2018, Berlin, Germany (2018)

Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Temperature-driven effects in functional materials: Ab initio insights. Talk at University Pierre and Marie CURIE (UPMC), Paris, France (2017)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany (2017)

Dutta, B.; Olsen, R. J.; Mu, S.; Hickel, T.; Samolyuk, G. D.; Specht, E. D.; Bei, H.; Lindsay, L. R.; Neugebauer, J.; Stocks , M. et al.; Larson, B. C.: Lattice dynamics in high entropy alloys: understanding the role of fluctuations. EUROMAT 2017, Thessaloniki, Greece (2017)

Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of magnetic fluctuations on phonons: a Green's function-based approach. MPIE-ICAMS workshop, Ebernburg, Germany (2017)

Dey, P.; Yao, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab-initio investigation of the role of kappa carbide in upgrading Fe–Mn–Al–C alloy to the class of advanced high-strength steels. ArcelorMittal Global R&D Gent, Thessaloniki, Greece (2017)

Dutta, B.; Hickel, T.; Neugebauer, J.: Finite temperature excitation mechanisms and their coupling in magnetic shape memory alloys. The Materials Research Centre (MRC), Indian Institute of Science (IISc), Bangalore, India (2017)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Leitner, M.; Neuhaus, J.; Petry, W.: Ab initio determination of phonon lifetimes up to the melting point. EMRS Spring 2017, Strasbourg, France (2017)

Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of doping on the magnetic and structural transformations in magnetocaloric materials. DPG Spring Meeting of the Condensed Matter Section, Dresden, Germany (2017)

Dutta, B.; Hickel, T.; Neugebauer, J.: Ab initio modelling of phase diagrams in magnetic Heusler alloys: achievements and future challenges. SUSTech Global Scientists Forum, Shenzhen, China (2017)

Dey, P.; Tarzimoghadam, Z.; Ponge, D.; McEniry, E.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab-initio study of the interplay of hydrogen and microstructure in Ni-based superalloys. DPG 2017, Dresden, Germany (2017)