Pei, Z.; Friák, M.; Sandlöbes, S.; Nazarov, R.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New Journal of Physics 17 (9), 093009 (2015)

Friák, M.; Tytko, D.; Holec, D.; Choi, P.-P.; Eisenlohr, P.; Raabe, D.; Neugebauer, J.: Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases. New Journal of Physics 17 (9), 093004 (2015)

Huang, L.; Grabowski, B.; McEniry, E.; Trinkle, D. R.; Neugebauer, J.: Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 252 (9), S. 1907 - 1924 (2015)

Cui, Y.; Lee, S.; Freysoldt, C.; Neugebauer, J.: Role of biaxial strain and microscopic ordering for structural and electronic properties of In_xGa_1-xN. Physical Review B 92 (8), 085204, S. 5204 - 5210 (2015)

Ma, D.; Friák, M.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Materialia 98, 12303, S. 367 - 376 (2015)

Pei, Z.; Ma, D.; Friák, M.; Svendsen, B.; Raabe, D.; Neugebauer, J.: From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium. Physical Review B 92 (6), 064107 (2015)

Hamidi Siboni, N.; Raabe, D.; Varnik, F.: Aging in amorphous solids: A study of the first-passage time and persistence time distributions. EPL 111 (4), 48004 (2015)

Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Alling, B.: Configurational order-disorder induced metal-nonmetal transition in B₁₃C₂ studied with first-principles superatom-special quasirandom structure method. Physical Review B 92 (1), 014202 (2015)

Duff, A. I.; Davey, T.; Korbmacher, D.; Glensk, A.; Grabowski, B.; Neugebauer, J.; Finnis, M. W.: Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 91 (21), 214311 (2015)

Lai, M.; Tasan, C. C.; Zhang, J.; Grabowski, B.; Huang, L.; Raabe, D.: Origin of shear induced β to ω transition in Ti–Nb-based alloys. Acta Materialia 92, S. 55 - 63 (2015)

Bévillon, É.; Colombier, J. P.; Dutta, B.; Stoian, R. I.: Ab Initio Nonequilibrium Thermodynamic and Transport Properties of Ultrafast Laser Irradiated 316L Stainless Steel. The Journal of Physical Chemistry C 119 (21), S. 11438 - 11446 (2015)

Höglund, C.; Alling, B.; Jensen, J. M.; Hultman, L.; Birch, J.; Hall-Wilton, R. J.: Growth and oxidization stability of cubic Zr_1-xGd_xN solid solution thin films. Journal of Applied Physics 117 (19), 195301 (2015)

Bauer, K.-D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 90, S. 69 - 76 (2015)

Grabowski, B.; Wippermann, S. M.; Glensk, A.; Hickel, T.; Neugebauer, J.: Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au. Physical Review B 91 (20), 201103 (2015)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Understanding anharmonicity in fcc Materials: From its origin to ab initio strategies beyond the quasiharmonic approximation. Physical Review Letters 114 (19), 195901 (2015)

Duff, A.; Lymperakis, L.; Neugebauer, J.: Ab initio-based bulk and surface thermodynamics of InGaN alloys: Investigating the effects of strain and surface polarity. Physica Status Solidi B 252 (5), S. 855 - 865 (2015)

Dutta, B.; Hickel, T.; Neugebauer, J.; Behler, C.; Fähler, S.; Behler, A.; Waske, A.; Teichert, N.; Schmalhorst, J.-M.; Hütten, A.: Interplay of strain and interdiffusion in Heusler alloy bilayers. Physica Status Solidi (RRL) - Rapid Research Letters 9 (5), S. 321 - 325 (2015)

Leyson, G.; Grabowski, B.; Neugebauer, J.: Multiscale description of dislocation induced nano-hydrides. Acta Materialia 89, S. 50 - 59 (2015)

Ma, D.; Friák, M.; von Pezold, J.; Raabe, D.; Neugebauer, J.: Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia 85, S. 53 - 66 (2015)

Bar-Sinai, Y.; Spatschek, R. P.; Brener, E. A.; Bouchbinder, E.: Velocity-strengthening friction significantly affects interfacial dynamics, strength and dissipation. Scientific Reports 5, 7841 (2015)