Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGxN/AlyGyNcomposites
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).

[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry (2017) 1752–1761.

On-Surface Site-Selective Cyclization of Corrole Radicals
S. Tebi, M. Paszkiewicz, H. Aldahhak, F. Allegretti, S. Gonglach, M. Haas, M. Waser, P.S. Deimel, P.C. Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, D.A. Duncan, J.V. Barth, W.G. Schmidt, R. Koch, U. Gerstmann, E. Rauls, F. Klappenberger, W. Schöfberger, S. Müllegger, ACS Nano (2017) 3383–3391.

X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization
H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel, P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt, S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal of Physical Chemistry C 121 (2017) 2192–2200.

Electron paramagnetic resonance calculations for hydrogenated Si surfaces
M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review B 95 (2017).

Tuning the conductivity along atomic chains by selective chemisorption
F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).

Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing
D. Nozaki, A. Lücke, W.G. Schmidt, The Journal of Physical Chemistry Letters (2017) 727–732.

Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGxN/AlyGyNcomposites
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).

Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory
M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 1 (2017).

Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).

Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R.A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N.L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, Journal of Physics: Condensed Matter 29 (2017).

Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates
X. Ma, O.A. Egorov, S. Schumacher, Physical Review Letters 118 (2017).

Vortex-vortex control in exciton-polariton condensates
X. Ma, S. Schumacher, Physical Review B 95 (2017).

Identifying and Realizing Symmetries in Quantum Walks - Symmetry Classes and Quantum Walks
P. Schütte, Identifying and Realizing Symmetries in Quantum Walks - Symmetry Classes and Quantum Walks, 2017.

Physikdidaktische Forschung in der Hochschule. Eine Übersicht über Forschungsdesigns & -methoden
D. Woitkowski, C. Vogelsang, die hochschullehre 3 (2017).

Die Messung fachdidaktischen Wissens bei Anfängern und Fortgeschrittenen im Lehramtsstudiengang Physik
J. Riese, Y. Gramzow, P. Reinhold, Zeitschrift für Didaktik der Naturwissenschaften 23 (2017) 99–112.

Two-dimensional switchable blue phase gratings manufactured by nanosphere lithography
M. Wahle, K. Brassat, J. Ebel, J. Bürger, J. Lindner, H.-S. Kitzerow, Optics Express 25 25 (2017) 22608–22619.

Enhanced columnar mesophase range through distortions in arene cores
J. Vollbrecht, C. Wiebeler, S. Schumacher, H. Bock, H.-S. Kitzerow, Molecular Crystals and Liquid Crystals (2017) 66–73.

Wann ist eine Unterrichtsplanung 'gut'? - Planungsperformanz in Praxisratgebern zur Unterrichtsplanung
C. Vogelsang, J. Riese, in: S. Wernke, K. Zierer (Eds.), Die Unterrichtsplanung: Ein in Vergessenheit geratener Kompetenzbereich?! Status Quo und Perspektiven aus Sicht der empirischen Forschung., Klinckhardt, Bad Heilbrunn, 2017, pp. 47–60.

Wie valide sind Professionswissenstests?: Zum Zusammenhang von erfasstem Wissen, Unterrichtshandeln und Unterrichtserfolg
E. Cauet, C. Vogelsang, in: H. Fischler, E. Sumfleth (Eds.), Professionelle Kompetenz von Lehrkräften der Chemie und Physik, LOGOS, Berlin, 2017, pp. 77–96.