Aydin, U.; Hickel, T.; Neugebauer, J.: The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)

Chen, Y.; Zuo, J.; Schneider, P.; Erbe, A.: Real-time investigation of ZnO growth on Zn by spectroscopic ellipsometry. 3rd NanoCharm Workshop on Non-Destructive Real Time Process Control, Berlin, Germany (2010)

Kords, C.; Eisenlohr, P.; Roters, F.: Signed dislocation densities and their spatial gradients as basis for a nonlocal crystal plasticity model. MMM 2010 Fifth International Conference Multiscale Materials Modeling, Freiburg, Germany (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. ADIS 2010 Meeting, Ringberg, Germany (2010)

Sandschneider, N.; Hickel, T.; Neugebauer, N.: Defects and diffusion mechanisms in FeAl. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo and ab initio study of nano-precipitates and growth in ferritic steels. Ab Initio Description of Iron and Steel: Mechanical Properties, Tegernsee, Germany (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)

Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Quantum-mechanics-based study of multi-scale elastic properties of hierarchical biocomposites. Prospects of bionics for functional Materials Science, Montan University Leoben, Leoben, Austria (2010)

von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Psi-k 2010 Conference, Berlin, Germany (2010)

Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: The influence of interstitial carbon on the stacking fault energy of Fe based materials. Psi-k Conference 2010, Berlin, Germany (2010)

Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduction Reaction on Pt-Nanoparticles: A Density-Functional Based Study. 46th Symposium on Theoretical Chemistry, STC2010, Münster, Germany (2010)

Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduktion Reaction On Pt-Nanoparticles: A Density-Functional Based Study II. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Ruhr-Universität Bochum, Bochum, Germany (2010)

Biedermann, P. U.; Flechtner, K.-D.: Towards a Thermodynamic Theory of Electrochemical Reactions in Aqueous Media. A DFT Study of the Intermediates of Oxygen Reduction. 46th Symposium on Theoretical Chemistry, STC2010, Münster, Germany (2010)

Biedermann, P. U.; Flechtner, K.-D.: Theoretical Insights into the Mechanism of the Oxygen Reduction Reaction. Electrochemistry 2010, Ruhr-Universität Bochum, Bochum, Germany (2010)

Elstnerova, P.; Friák, M.; Hickel, T.; Fabritius, H.; Raabe, D.; Ziegler, A.; Hild, S.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: An ab initio study. Psi-k Conference 2010, Berlin, Germany (2010)

Fabritius, H.-O.; Karsten, E. S.; Balasundaram, K.; Hild, S.; Huemer, K.; Raabe, D.: Influence of Structural Organization and Mineral Distribution on the Local Mechanical Properties of Mineralized Cuticle. Workshop Prospects in BIONICS, Leoben, Austria (2010)

Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Ab initio based study of multi-scale elastic properties of hierarchical biocomposites. Psi_k Conference 2010, Berlin, Germany (2010)

Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Fully ab initio based determination of magnetic contributions to the free energy of metals. Psi-k Conference 2010, Berlin, Germany (2010)

Kalesaki, E.; Lymperakis, L.; Kioseoglou, J.; Komninou, P.; Karakostas, T.: Surface Thermodynamics of (11-22) and (11-2-2) Semipolar AlN Surfaces. International Workshop on Nitride Semiconductors, Tampa, FL, USA (2010)