Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).

A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide
M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W.G. Schmidt, R. Wilhelm, RSC Advances 10 (2020) 42930–42937.

Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures
H. Aldahhak, P. Powroanik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.

Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces
C. Braun, S. Neufeld, U. Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, W.G. Schmidt, Physical Review Letters 124 (2020).

Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits
T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).

Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits
T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research (2020).

Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon
J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113.

Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory
M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063.

Carrier-wave population transfer in semiconductors
R. Zuo, X. Song, T. Meier, W. Yang, Journal of Physics: Conference Series 1412 (2020).

Probing nonclassicality with matrices of phase-space distributions
M. Bohmann, E. Agudelo, J. Sperling, Quantum (2020).

Classical evolution in quantum systems
J. Sperling, I.A. Walmsley, Physica Scripta (2020).

Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling
M. Carcamo, S. Schumacher, R. Binder, Applied Optics 59 (2020).

Chiral condensates in a polariton hexagonal ring.
X. Ma, Y. Kartashov, A. Kavokin, S. Schumacher, Optics Letters 45 (2020) 5700–5703.

Carbon vacancy-related centers in <mml:math xmlns:mml="http://www..org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon carbide: Negative-<mml:math xmlns:mml="http://www..org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> properties and structural transformation
H.J. von Bardeleben, E. Rauls, U. Gerstmann, Physical Review B 101 (2020).

Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [N][Zn(HCOO)3] hybrid formate framework
M. Navickas, L. Giribnas, V. Kalendra, T. Biktagirov, U. Gerstmann, W.G. Schmidt, M. Mczka, A. Pöppl, J. Banys, M. Simnas, Physical Chemistry Chemical Physics 22 (2020) 8513–8521.

Spin-orbit driven electrical manipulation of the zero-field splitting in high-spin centers in solids
T. Biktagirov, U. Gerstmann, Physical Review Research 2 (2020).

Photocatalytic properties of            graphenesupported            titania clusters from            densityfunctional            theory
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.

Accurate photon echo timing by optical freezing of exciton dephasing and rephasing in quantum dots
A.N. Kosarev, H. Rose, S.V. Poltavtsev, M. Reichelt, C. Schneider, M. Kamp, S. Höfling, M. Bayer, T. Meier, I.A. Akimov, Communications Physics 3 (2020).

Realization of all-optical vortex switching in exciton-polariton condensates
T. Meier, X. Ma, B. Berger, M. Aßmann, R. Driben, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.

k.p-based multiband simulations of non-degenerate two-photon absorption in bulk GaAs
W.-R. Hannes, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXIV, 2020, p. 112780S.