Publications of Jörg Neugebauer

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)

Neugebauer, J.: Modeling Ductility at the Atomistic Scale: Status and Challenges. MSE 2014, Darmstadt, Germany (2014)

Neugebauer, J.: The role of hydrogen-hydrogen interaction in understanding H embrittlement: An ab initio guided multiscale approach. Hydrogen Conference, London, UK (2014)

Neugebauer, J.: Design of structural materials based on ab initio computed phase stabilities. MS&T Conference, Orlando, FL, USA (2014)

Neugebauer, J.: Ab initio based design of structural materials: Status and challenges. Expertenpanel Computer Simulation of Material Structures and Properties, Schott AG , Mainz, Germany (2014)

Neugebauer, J.: Identifying H induced failure mechanisms in structural materials: A multiscale approach. MRS Fall Meeting, Boston, MA, USA (2014)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: An ab-initio study of muscovite mica. DPG Frühjahrstagung, Dresden, Germany (2014)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Adaptive behavior in the Fe–C system. Pearlite workshop, MPIE, Düsseldorf, Germany (2014)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Ab initio study on the role of interfaces for structural transformations in the Fe–C system. TMS 2014, San Diego, CA, USA (2014)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Ab initio based insights into structural transformations and the role of interfaces in Fe–C alloys. DPG 2014, Dresden, Germany (2014)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin film and impact for structural transformations in Fe–C alloys. ADIS Workshop 2014, Ringberg, Germany (2014)

Neugebauer, J.: Computational coarse-graining in configuration space as basis for a predictive ab initio thermodynamics. EPSRC Symposium, Warwick, London, UK (2013)

Körmann, F.; Grabowski, B.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.: Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)

Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. IMR Seminar at Institute for Materials Research, Tohoku University, Sendai, Japan (2013)

Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)

Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)

Grabowski, B.; Huang, L.; Korbmacher, D.; Glensk, A.; Hickel, T.; Neugebauer, J.: Ab initio based thermodynamics of and phase transformations in Ti alloys. EUROMAT Conference, Sevilla, Spain (2013)

Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)

Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. CECAM Conference, Platja d’Aro, Spain (2013)