Publications of Jörg Neugebauer

Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: A computationally highly efficient ab initio approach for melting property calculations and practical applications. CALPHAD 2024, Mannheim, Germany (2024)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Kumar, K. S.; Hammerschmidt, T.; Hickel, T.; Neugebauer, J.: Relative stability of stacking faults in Fe–Nb alloys in comparison with the convex hull for bulk phases. CALPHAD XLVIII, Singapore, Singapore (2019)

Rao, Z.; Ponge, D.; Körmann, F.; Ikeda, Y.; Schneeweiss, O.; Friák, M.; Neugebauer, J.; Raabe, D.; Li, Z.: Invar effects in FeNiCo medium entropy alloys: from an invar treasure map to alloy design. DPG Regensburg 2019, Regensburg, Germany (2019)

Ikeda, Y.; Körmann, F.; Neugebauer, J.: Tuning the mechanical properties of CrMnFeCoNi-based high-entropy alloys from ab initio. ADIS 2018 Workshop , Tegernsee, Germany (2018)

Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. TMS 2018, Phoenix, AZ, USA (2018)

Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Towards ab initio phase diagram of Fe–Nb: Importance of Magnon-Phonon coupling. DPG-Frühjahrstagung 2018, Berlin, Germany (2018)

Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H₂O interface studied by empirical potentials using automated tools. The electrode potential in electrochemistry workshop - A challenge for electronic structure theory calculations, Castle Reisensburg (Ulm), Germany (2017)

Surendralal, S.; Todorova, M.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H₂O. High electric Fields in Electrochemistry and in Atom Probe Tomography - Workshop, Ringberg Castle, Tegernsee, Germany (2017)

Surendralal, S.; Todorova, M.; Neugebauer, J.: The Mg(0001)/H₂O interface studied by empirical potentials and density functional. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)

Zendegani, A.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of magnetism on the stability of Laves phases in Fe–Nb alloys. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)

Dutta, B.; Hickel, T.; Neugebauer, J.: Investigation of point defects in Heusler alloys: An ab initio study. Bunsen Colloquium at Institute of Physical Chemistry, RWTH Aachen University, Aachen, Germany (2016)

Dutta, B.; Hickel, T.; Olsen, R. J.; Larson, B. C.; Stocks, M.; Samolyuk, G. D.; Neugebauer, J.: Towards a microscopic understanding of lattice vibrations in disordered systems: implications for high entropy alloys. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)

Dutta, B.; Körmann, F.; Alling, B.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Interaction of magnetic and lattice degrees of freedom. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)

Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Welsch, E.; Herbig, M.; Friák, M.; Lipińska-Chwałek, M.; Hickel, T.; Scheu, C. et al.; Raabe, D.; Neugebauer, J.: Off-stoichiometric composition of κ carbide in Fe–Mn–Al–C steels: An ab-initio study combined with experiment. ADIS 2016 Workshop, Tegernsee, Germany (2016)

Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. The Materials Chain: From Discovery to Production, International Conference, Bochum, Germany (2016)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. PSI-K Meeting 2015, San Sebastián, Spain (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies. Nothing is Perfect 2015, Ascona, Switzerland (2015)

Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: The itinerant coherent potential approximation for phonons: role of fluctuations for systems with magnetic disorder. TMS 2015, Orlando, FL, USA (2015)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: CALPHAD assessments using T > 0K ab initio data: From quasiharmonic to local anharmonic approximation. CALPHAD 2015, Loano, Italy (2015)