Publications of Jörg Neugebauer

Freysoldt, C.; Neugebauer, J.: Point defects in supercells: Correction schemes for the dilute limit. Workshop on Ab-initio description of charged systems and solid/liquid interfaces , Santa Barbara, CA, USA (2014)

Freysoldt, C.; Pfanner, G.; Neugebauer, J.: Role of the defect creation strategy for modelling dangling bonds in a-Si:H. MRS Spring Meeting, San Francisco, CA, USA (2014)

Hickel, T.; Glensk, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics of materials up to the melting point: The role of anharmonicities. Asia Sweden Meeting on Understanding Functional Materials from Lattice dynamics, Guwahati, India (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)

Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of anharmonic free energy contributions in an ab initio description of the hcp to bcc transition in Ti. DPG-Frühjahrstagung 2014, Dresden, Germany (2014)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Impact of weak and strong magnetic coupling on the thermodynamics of chromium. DPG spring meeting 2014 , Dresden, Germany (2014)

Körmann, F.; Hickel, T.; Neugebauer, J.: Phase stabilities of metals and steels - The impact of magnetic excitations from fi rst-principles. ADIS (Ab initio Description of Iron and Steel) Conference 2014 , Ringberg Castle, Rottach-Egern, Germany (2014)

Neugebauer, J.: Interplay between Plasticity Mechanisms, Entropy, and Chemical Composition: An Ab initio approach. Plasticity 2014, Freeport, Bahamas (2014)

Neugebauer, J.: Materials design and discovery on the computer: Prospects and challenges. ICYS workshop, Tsukuba, Japan (2014)

Neugebauer, J.: Ab initio thermodynamics: A novel route to understand and design structural materials. NIMS, Tsukuba, Japan (2014)

Neugebauer, J.: Materials design based on predictive ab initio thermodynamics. Colloquium at Universität Magdeburg, Magdeburg, Germany (2014)

Neugebauer, J.: A brief introduction to surface science from a modelers perspective. Seminar at Ecole Polytechnique, Paris, France (2014)

Neugebauer, J.: Pourbaix diagrams and stability in electrochemical environment. Catalysis Workshop Reisensburg, Reisensburg, Germany (2014)

Neugebauer, J.: Connecting thermodynamic concepts of semiconductor defect chemistry with electrochemistry. Calphad Conference, Changsha, China (2014)

Neugebauer, J.: Understanding hydrogen embrittlement by a combined atomistic-analytic multiscale approach. MDRC Conference , Lake Arrowhead, CA, USA (2014)

Neugebauer, J.: Discrete Models – Material Properties from Electrons and Atoms. ICMEg Conference, Rolduc, The Netherlands (2014)

Neugebauer, J.: First principles calculations of CCA stability. Workshop CC Alloys , München, Germany (2014)

Neugebauer, J.: Ab initio thermodynamics: A novel route to understand and design structural materials. CSW Conference, Tsukuba, Japan (2014)

Neugebauer, J.: Materials design and discovery on the computer: Prospects and challenges. IUMRS-ICA2014, Fukuoka, Japan (2014)

Neugebauer, J.: Materials design based on predictive ab initio thermodynamics. CMD25 JMC , Paris, France (2014)