Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Dutta, B.; Grabowski, B.; Neugebauer, J.: Ab Initio-Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys. Advanced Engineering Materials 14 (8), pp. 547 - 561 (2012)

Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing density functional theory to finite temperatures: Methods and applications in steel design. Journal of Physics: Condensed Matter 24, 053202 (2012)

Tasan, C. C.; Hoefnagels, J. P. M.; Dekkers, E. C. A.; Geers, M. G. D.: Multi-Axial Deformation Setup for Microscopic Testing of Sheet Metal to Fracture. Experimental Mechanics 52 (7), pp. 669 - 678 (2012)

Tasan, C. C.; Hoefnagels, J. P. M.; Geers, M.G. D.: Identification of the continuum damage parameter: An experimental challenge in modeling damage evolution. Acta Materialia 60 (8), pp. 3581 - 3589 (2012)

Tasan, C. C.; Hoefnagels, J. P. M.; Geers, M. G. D.: A micropillar compression methodology for ductile damage quantification. Metallurgical and Materials Transactions A 43 (3), pp. 796 - 801 (2012)

Grabowski, B.; Söderlind, P.; Hickel, T.; Neugebauer, J.: Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca. Physical Review B 84 (21), pp. 214107-1 - 214107-20 (2011)

Friák, M.; Hickel, T.; Grabowski, B.; Lymperakis, L.; Udyansky, A.; Dick, A.; Ma, D.; Roters, F.; Zhu, L.-F.; Schlieter, A. et al.; Kühn, U.; Ebrahimi, Z.; Lebensohn, R. A.; Holec, D.; Eckert, J.; Emmerich, H.; Raabe, D.; Neugebauer, J.: Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physics Journal Plus 126, pp. 101-1 - 101-22 (2011)

Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: Indentation-based damage quantification revisited. Scripta Materialia 63, pp. 316 - 319 (2010)

Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: Microstructural Banding Effects Clarified Through Micrographic Digital Image Correlation. Scripta Materialia 62 (11), pp. 835 - 838 (2010)

Hickel, T.; Dick, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Steel design from fully parameter-free ab initio computer simulations. Steel Research International 80, pp. 4 - 8 (2009)

Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: A brittle-fracture methodology for three-dimensional visualization of ductile deformation micromechanisms. Scripta Materialia 61 (1), pp. 20 - 23 (2009)

Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: A critical assessment of indentation-based ductile damage quantification. Acta Materialia 57 (15), pp. 4957 - 4966 (2009)

Tasan, C. C.; Hoefnagels, J.P.M.; ten Horn, C.H.L.J.; Geers, M.G.D.: Experimental analysis of strain path dependent ductile damage mechanics and forming limits. Mechanics of Materials 41 (11), pp. 1264 - 1276 (2009)

Tasan, C. C.; Kaynak, C.: Mechanical performance of resol type phenolic resin/layered silicate nanocomposites. Polymer Composites 30 (3), pp. 343 - 350 (2009)

Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: A map for phase-change materials. Nature Materials 7, pp. 972 - 977 (2008)

Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J.: Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 78, 033102 (2008)

Grabowski, B.; Tasan, C. C.: Self-Healing Metals. In: Self-healing Materials, Vol. 273 of the series Advances in Polymer Science, pp. 387 - 407 (Eds. Hager, D. M.; van der Zwaag, S.; Schubert, S. U.). Springer International Publishing, Switzerland (2016)

Morsdorf, L.; Gault, B.; Ponge, D.; Tasan, C. C.; Raabe, D.: Improved Atom Probe Methodology for Studying Carbon Redistribution in Low-Carbon High-Ms Lath Martensitic Steels. In: Microscopy & Microanalysis 2017, Vol. 23, pp. 706 - 707. Microscopy & Microanalysis 2017, St. Louis, Missouri, USA, August 06, 2017 - August 10, 2017. Cambridge University Press, Cambridge, UK (2017)

Katnagallu, S.; Nematollahi, G. A.; Dagan, M.; Moody, M. P.; Grabowski, B.; Gault, B.; Raabe, D.; Neugebauer, J.: High Fidelity Reconstruction of Experimental Field Ion Microscopy Data by Atomic Relaxation Simulations. In: Proceedings of Microscopy & Microanaalysis 2017, Vol. 23, pp. 642 - 643. Microscopy and Microanalysis 2017, St. Louis, MO, USA, August 06, 2017 - August 10, 2017. Cambridge University Press, New York, NY, USA (2017)

Diehl, M.; Naunheim, Y.; Yan, D.; Morsdorf, L.; An, D.; Tasan, C. C.; Zaefferer, S.; Roters, F.; Raabe, D.: Coupled Experimental-Numerical Analysis of Strain Partitioning in Metallic Microstructures: The Importance of Considering the 3D Morphology. In: Session 1.3a, Strain Measurement at the Microscale 1, pp. 1 - 2. BSSM 12th International Conference on Advances in Experimental Mechanics, Sheffield, UK, August 29, 2017. (2017)