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737 Publications
2020 | Journal Article | LibreCat-ID: 17066
Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.
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| DOI
2020 | Journal Article | LibreCat-ID: 17068
Braun, Christian, Sergej Neufeld, Uwe Gerstmann, S. Sanna, J. Plaickner, E. Speiser, N. Esser, and Wolf Gero Schmidt. “Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces.” Physical Review Letters 124, no. 14 (2020). https://doi.org/10.1103/physrevlett.124.146802.
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| DOI
2020 | Journal Article | LibreCat-ID: 17069
Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research 2, no. 2 (2020). https://doi.org/10.1103/physrevresearch.2.022024.
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| DOI
2020 | Journal Article | LibreCat-ID: 19194
Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020. https://doi.org/10.1103/physrevresearch.2.022024.
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| DOI
2020 | Journal Article | LibreCat-ID: 19193
Niederhausen, Jens, Rowan W. MacQueen, Klaus Lips, Hazem Aldahhak, Wolf Gero Schmidt, and Uwe Gerstmann. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154.
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| DOI
2020 | Journal Article | LibreCat-ID: 19654
Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” ACS Omega, 2020, 24057–63. https://doi.org/10.1021/acsomega.0c03483.
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| DOI
2020 | Journal Article | LibreCat-ID: 22883
Zuo, R, X Song, Torsten Meier, and W Yang. “Carrier-Wave Population Transfer in Semiconductors.” Journal of Physics: Conference Series 1412, no. 8 (2020). https://doi.org/10.1088/1742-6596/1412/8/082005.
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2020 | Journal Article | LibreCat-ID: 40444
Bardeleben, H. J. von, E. Rauls, and Uwe Gerstmann. “Carbon Vacancy-Related Centers in <mml:Math Xmlns:Mml="http://Www.W3.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.W3.Org/1998/Math/MathML"><mml:Mi>U</Mml:Mi></Mml:Math> Properties and Structural Transformation.” Physical Review B 101, no. 18 (2020). https://doi.org/10.1103/physrevb.101.184108.
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| DOI
2020 | Journal Article | LibreCat-ID: 17070
Navickas, Marius, Laisvydas Giriūnas, Vidmantas Kalendra, Timur Biktagirov, Uwe Gerstmann, Wolf Gero Schmidt, Mirosław Mączka, Andreas Pöppl, Jūras Banys, and Mantas Šimėnas. “Electron Paramagnetic Resonance Study of Ferroelectric Phase Transition and Dynamic Effects in a Mn2+ Doped [NH4][Zn(HCOO)3] Hybrid Formate Framework.” Physical Chemistry Chemical Physics 22 (2020): 8513–21. https://doi.org/10.1039/d0cp01612h.
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| DOI
2020 | Journal Article | LibreCat-ID: 29745
Biktagirov, Timur, and Uwe Gerstmann. “Spin-Orbit Driven Electrical Manipulation of the Zero-Field Splitting in High-Spin Centers in Solids.” Physical Review Research 2, no. 2 (2020). https://doi.org/10.1103/physrevresearch.2.023071.
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2020 | Journal Article | LibreCat-ID: 19189 | 
Badalov, Sabuhi, René Wilhelm, and Wolf Gero Schmidt. “Photocatalytic Properties of Graphene‐supported Titania Clusters from Density‐functional Theory.” Journal of Computational Chemistry, 2020, 1921–30. https://doi.org/10.1002/jcc.26363.
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2020 | Conference Paper | LibreCat-ID: 20770
Hannes, Wolf-Rüdiger, and Torsten Meier. “K.p-Based Multiband Simulations of Non-Degenerate Two-Photon Absorption in Bulk GaAs.” In Ultrafast Phenomena and Nanophotonics XXIV, edited by Markus Betz and Abdulhakem Y. Elezzabi, 11278:112780S. SPIE Proceedings, 2020. https://doi.org/10.1117/12.2545924.
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2020 | Journal Article | LibreCat-ID: 20682
Bocchini, Adriana, Christof Eigner, Christine Silberhorn, Wolf Gero Schmidt, and Uwe Gerstmann. “Understanding Gray Track Formation in KTP: Ti^3+ Centers Studied from First Principles.” Phys. Rev. Materials 4 (2020): 124402. https://doi.org/10.1103/PhysRevMaterials.4.124402.
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| DOI
2020 | Journal Article | LibreCat-ID: 22266
Grabo, Matti, Christoph Staggenborg, Kai Alexander Philippi, and Eugeny Kenig. “Modeling and Optimization of Rectangular Latent Heat Storage Elements in an Air-Guided Heat Storage System.” Frontiers in Energy Research 8 (2020). https://doi.org/10.3389/fenrg.2020.571787.
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| DOI
2020 | Journal Article | LibreCat-ID: 15945
Tinkloh, Steffen Rainer, Tao Wu, Thomas Tröster, and Thomas Niendorf. “A Micromechanical-Based Finite Element Simulation of Process-Induced Residual Stresses in Metal-CFRP-Hybrid Structures.” Composite Structures 238 (2020). https://doi.org/10.1016/j.compstruct.2020.111926.
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| DOI
2020 | Conference Paper | LibreCat-ID: 23409
Bertling, René, Mathias Hack, Ilja Ausner, and Eugeny Kenig. “CFD Simulation of Film and Rivulet Flows on Microstructured Surfaces,” 2020.
LibreCat
2020 | Journal Article | LibreCat-ID: 20580
Ma, Xuekai, B Berger, M Aßmann, R Driben, Torsten Meier, C Schneider, S Höfling, and Stefan Schumacher. “Realization of All-Optical Vortex Switching in Exciton-Polariton Condensates.” Nature Communications 11, no. 1 (2020): 897. https://doi.org/10.1038/s41467-020-14702-5.
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| PubMed | Europe PMC
2020 | Journal Article | LibreCat-ID: 16277 |
Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020). https://doi.org/10.1063/5.0007045.
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| arXiv
2020 | Conference Paper | LibreCat-ID: 16898
Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K.” In Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society, 2020. https://doi.org/10.1109/SC41405.2020.00084.
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| arXiv
2020 | Conference Paper | LibreCat-ID: 21632
Meyer, Marius, Tobias Kenter, and Christian Plessl. “Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite.” In 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020. https://doi.org/10.1109/h2rc51942.2020.00007.
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