Publications of Jörg Neugebauer

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)

Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: A fully ab initio approach to electrochemistry and corrosion. CNLS Colloquium, Los Alamos National Laboratory, Los Alamos, NM, USA (2019)

Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Modelling electrochemical solid/liquid interfaces by first principles calculations. 19th International Workshop on Computational Physics and Material Science: Total Energy and Force Methods, ICTP, Trieste, Italy (2019)

Ikeda, Y.; Körmann, F.; Neugebauer, J.: Impact of chemical compositions and interstitial alloying on the stacking fault energy of CrMnFeCoNi-based HEAs from first principles. The 2nd International Conference on High-Entropy Materials , Jeju, South Korea (2018)

Neugebauer, J.: High entropy alloys beyond configurational entropy. MRS 2018 Conference, Boston, MA, USA (2018)

Neugebauer, J.: Exploration of large ab initio data spaces to design structural materials with superior mechanical properties. Multiscale Materials Modeling (MMM 2018) Conference, Osaka, Japan (2018)

Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Ab intiio modelling of solid/liquid interfaces: Challenges and insights. DESY Seminar, Hamburg, Germany (2018)

Neugebauer, J.: Employing ab initio thermodynamics to design structurally complex materials. RCTP-2018 Conference, Moscow, Russia (2018)

Ikeda, Y.; Körmann, F.; Neugebauer, J.: Stacking fault energies of CrMnFeCoNi-based high entropy alloys from ab initio. Materials Science and Engineering 2018 (MSE) , Darmstadt, Germany (2018)

Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Segregation and Transformation at Lattice Defects as Microstructure Design Toolbox. Materials Science and Engineering Congress, Darmstadt, Germany (2018)

Neugebauer, J.: Fundamental compositional limitations in the thin film growth of metastable alloys. 3rd Conference on Advanced Functional Materials (AFM2018), Vildmarkshotellet Kolmården, Norrköping, Sweden (2018)

Neugebauer, J.: Modelling thermodynamics and kinetics of general grain boundaries: Challenges and successes. Thermec 2018 Conference, Paris, France (2018)

Neugebauer, J.: First-principles approaches for charged defects in low dimensional systems. Conference on Physics of Defects in Solids, Trieste, Italy (2018)

Neugebauer, J.: Understanding fundamental doping and stoichiometry limits in semiconductors by ab initio modelling. EDS 2018 Conference, Thessaloniki, Greece (2018)

Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. CALPHAD XLVII Conference, Querétaro, México (2018)

Neugebauer, J.: Machine learning as tool to enhance ab initio based alloy design. Workshop: “Machine learning and data analytics in advanced metals processing", Manchester, UK (2018)

Neugebauer, J.: From electrons to the design of structurally complex materials. SFB ViCoM conference EPT 2018: From electrons to phase transitions, Vienna, Austria (2018)

Neugebauer, J.: Exploration of Large Ab Initio Data Spaces to Design Structural Materials with Superior Mechanical Properties. Hume-Rothery Award Symposium, TMS 2018, Phoenix, AZ, USA (2018)

Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.; Dutta, B.; Carreras, A.; Seko, A.; Neugebauer, J.; Tanaka, I.: Phonon broadening in high entropy alloys. TMS 2018, Phoenix, AZ, USA (2018)

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)