Zhang, J.; Rynko, R.; Frenzel, J.; Somsen, C.; Eggeler, G. F.: Ingot metallurgy and microstructural characterization of Ti–Ta alloys. International Journal of Materials Research 105 (2), pp. 156 - 167 (2014)

Zhang, H.; Pradeep, K. G.; Mandal, S.; Ponge, D.; Choi, P.-P.; Tasan, C. C.; Raabe, D.: Enhanced superplasticity in an Al-alloyed multicomponent Mn–Si–Cr–C steel. Acta Materialia 63, pp. 232 - 244 (2014)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X 4 (1), 011018 (2014)

Palumbo, M.; Burton, B. P.; Costa e Silva, A. L. V.; Fultz, B. T.; Grabowski, B.; Grimvall, G.; Hallstedt, B.; Hellman, O.; Lindahl, B. B.; Schneider, A. et al.; Turchi, P. E. A.; Xiong, W.: Thermodynamic modelling of crystalline unary phases. Physica Status Solidi B 251 (1), pp. 14 - 32 (2014)

Körmann, F.; Grabowski, B.; Söderlind, P. A.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.: Thermodynamic modeling of chromium: strong and weak magnetic coupling. Journal of Physics: Condensed Matter 25 (42), 425401 (2013)

Razavi Tousi, S. S.; Nematollahi, G. A.; Ebadzadeh, T.; Szpunar, J. A.: Modifying aluminum-water reaction to generate nano-sized aluminum hydroxide particles beside hydrogen. Powder Technology 241, pp. 166 - 173 (2013)

Plancher, E.; Tasan, C. C.; Sandlöbes, S.; Raabe, D.: On dislocation involvement in Ti–Nb gum metal plasticity. Scripta Materialia 68 (10), pp. 805 - 808 (2013)

Huang, L.; Zeng, Z.: Lattice dynamics and disorder-induced contraction in functionalized graphene. Journal of Applied Physics 113 (8), 083524 (2013)

Huang, L.; Zhang, G. R.; Zheng, X. H.; Gong, P.; Cao, T.; Zeng, Z.: Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon. Journal of Physics: Condensed Matter 25 (5), 055304 (2013)

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)