Dutta, B.; Çaklr, A.; Giacobbe, C.; Al-Zubi, A.; Hickel, T.; Acet, M.; Neugebauer, J.: Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni–Mn–Ga. Physical Review Letters 116 (2), 025503 (2016)

Leyson, G. P. M.; Curtin, W. A.: Thermally-activated flow in nominally binary Al–Mg alloys. Scripta Materialia 111, pp. 85 - 88 (2016)

Eklund, P.; Kerdsongpanya, S.; Alling, B.: Transition-metal-nitride-based thin films as novel energy harvesting materials. Journal of Materials Chemistry C 4 (18), pp. 3905 - 3914 (2016)

Heidelmann, M.; Feuerbacher, M.; Ma, D.; Grabowski, B.: Structural anomaly in the high-entropy alloy ZrNbTiTaHf. Intermetallics 68, pp. 11 - 15 (2016)

Hüter, C.; Dang, S. O.; Zhang, X.; Glensk, A.; Spatschek, R. P.: Effects of Aluminum on Hydrogen Solubility and Diffusion in Deformed Fe–Mn Alloys. Advances in Materials Science and Engineering 2016, 4287186 (2016)

Ko, W.-S.; Shim, J.-H.; Jung, W.-S.; Lee, B.-J.: Computational screening of alloying elements for the development of sustainable V-based hydrogen separation membranes. Journal of Membrane Science 497, pp. 270 - 281 (2016)

Leyson, G.; Curtin, W. A.: Solute strengthening at high temperatures. Modelling and Simulation in Materials Science and Engineering 24 (6), 065005 (2016)

Sawada, H.; Kawakami, K.; Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia 102, pp. 241 - 250 (2016)

Střelcová, Z.; Kulhánek, P.; Friák, M.; Fabritius, H.-O.; Petrov, M.; Neugebauer, J.; Koča, J.: The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations. RSC Advances 6 (36), pp. 30710 - 30721 (2016)

Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Phase stability of the nanolaminates V₂Ga₂C and (Mo_1-xV_x)₂Ga₂C from first-principles calculations. Physical Chemistry Chemical Physics 18 (18), pp. 12682 - 12688 (2016)

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)

Corbett, B.; Quan, Z.; Dinh, D. V.; Kozlowski, G.; O'Mahony, D.; Akhter, M.; Schulz, S.; Parbrook, P.; Maaskant, P.; Caliebe, M. et al.; Hocker, M.; Thonke, K.; Scholz, F.; Pristovsek, M.; Han, Y.; Humphreys, C. J.; Brunner, F.; Weyers, M.; Meyer, T. M.; Lymperakis, L.: Development of semipolar (11-22) LEDs on GaN templates. In: Proceedings of SPIE Conference on Light-Emitting Diodes - Materials, Devices, and Applications for Solid State Lighting XX, Vol. 9768 , 97681G . SPIE Conference on Light-Emitting Diodes: Materials, Devices, and Applications for Solid State Lighting XX, San Francisco, CA, USA, February 13, 2016 - February 18, 2016. (2016)

Körmann, F.; Alling, B.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Parameter-free Computational Design of Magnetic Materials – Recent Advances in Ab Initio Techniques of Coupled Lattice and Spin Fluctuations. MRS Fall Meeting 2016, Boston, MA, USA (2016)

Neugebauer, J.: Solvent-controlled single atom dissolution, surface alloying and Wulff shapes of nanoclusters; Electrocatalysis at electrocodes in the dry. Workshop: Research Area III, ZEMOS, Bochum, Germany (2016)

Neugebauer, J.: Point Defects at Finite Temperatures. BUNSEN COLLOQUIUM - Defects and Diffusion in Solids, RWTH Aachen, Aachen, Germany (2016)

Hadian, R.: Grain boundary dynamics. Seminar at Imperial College London, Thomas-Young Center, London, UK (2016)

Ponge, D.; Wang, M.; Dutta, A.; Kwiatkowski da Silva, A.; Sandlöbes, S.; Millán , S. J.; Choi, P.-P.; Tasan, C. C.; Leyson, G. P. M.; Inden, G. et al.; Dmitrieva, O.; Kuzmina, M.; Herbig, M.; Raabe, D.: Austenite Reversion in Medium Manganese Steels. The 3rd International Conference on High Manganese Steels, Chengdu, China (2016)

Raabe, D.; Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Dey, P.; Dehm, G.; Welsch, E. D.; Yao, M.; Wong, S. L. et al.; Hickel, T.; Lipinska-Chwalek, M.; Neugebauer, J.; Prahl, U.; Madivala, M.; Scheu, C.; Bleck, W.: Ab-Initio Guided Design of Twinning Induced Plasticity and Weight Reduced Austenitic Steels. MRS Fall Meeting, Boston, MA, USA (2016)

Raabe, D.; Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Kuzmina, M.; Leyson, G.; Wang, M.; Tasan, C. C.; Nematollahi, G. A. et al.; Springer, H.; Belde, M. M.; Neugebauer, J.; Sandlöbes, S.: Segregation Engineering - Solute Decoration, Complexions and Transformations for Self-Organized Metallurgical Bulk Nanostructures. MRS Fall Meeting, Boston, MA, USA (2016)

Neugebauer, J.: Collective variable description of crystal anharmonicity. IPAM Workshop II: Collective Variables in Classical Mechanics, Los Angeles, CA, USA (2016)