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776 Publications
2022 | Journal Article | LibreCat-ID: 37681
Moritz, Dominik Christian, et al. “P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water.” ACS Applied Materials & Interfaces, vol. 14, no. 41, American Chemical Society (ACS), 2022, pp. 47255–61, doi:10.1021/acsami.2c13352.
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2022 | Journal Article | LibreCat-ID: 40423
Bauch, Fabian, et al. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances, vol. 12, no. 22, Royal Society of Chemistry (RSC), 2022, pp. 13999–4006, doi:10.1039/d2ra02032g.
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2022 | Journal Article | LibreCat-ID: 40425
Bathe, Thomas, et al. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A, vol. 126, no. 13, American Chemical Society (ACS), 2022, pp. 2075–81, doi:10.1021/acs.jpca.1c09179.
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2022 | Journal Article | LibreCat-ID: 37713
Murzakhanov, Fadis F., et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in HBN.” Nano Letters, vol. 22, no. 7, American Chemical Society (ACS), 2022, pp. 2718–24, doi:10.1021/acs.nanolett.1c04610.
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2022 | Journal Article | LibreCat-ID: 33965 | 
Bocchini, Adriana, et al. “Electrochemical Performance of KTiOAsO_4 (KTA) in Potassium-Ion Batteries from Density-Functional Theory.” Phys. Rev. Materials, vol. 6, American Physical Society, 2022, p. 105401, doi:10.1103/PhysRevMaterials.6.105401.
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini, Adriana, et al. “Oxygen Vacancies in KTiOPO_4: Optical Absorption from Hybrid DFT.” Phys. Rev. B, vol. 105, American Physical Society, 2022, p. 205118, doi:10.1103/PhysRevB.105.205118.
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2022 | Journal Article | LibreCat-ID: 27375
Schulz, Andreas Markus, et al. “A PLIC-Based Method for Species Mass Transfer at Free Fluid Interfaces.” Chemical Engineering Science, vol. 250, Elsevier, 2022, doi:10.1016/j.ces.2021.117357.
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2022 | Journal Article | LibreCat-ID: 28942
Wecker, Christian, et al. “Droplet Formation –a Numerical Investigation of Liquid-Liquid Systems with Consideration of Marangoni Convection.” International Journal of Heat and Mass Transfer, vol. 188, ELSEVIER, 2022, doi:10.1016/j.ijheatmasstransfer.2021.122465.
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2022 | Journal Article | LibreCat-ID: 44235
Inguva, Venkatesh, et al. “A Front-Tracking Method for Two-Phase Flow Simulation with No Spurious Currents.” Journal of Computational Physics, vol. 456, 1110066, Elsevier, 2022.
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2022 | Journal Article | LibreCat-ID: 30591
Bertling, René, et al. “Modelling Film and Rivulet Flows on Microstructured Surfaces Using CFD Methods.” Chemical Engineering Science, vol. 251, 117414, Elsevier BV, 2022, doi:10.1016/j.ces.2021.117414.
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2022 | Conference Paper | LibreCat-ID: 33739 |
Bondarenko, Alexander, et al. “CausalQA: A Benchmark for Causal Question Answering.” Proceedings of the 29th International Conference on Computational Linguistics, International Committee on Computational Linguistics, 2022, pp. 3296–3308.
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2022 | Conference Paper | LibreCat-ID: 46193 |
Karp, Martin, et al. “A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.” International Conference on High Performance Computing in Asia-Pacific Region, ACM, 2022, doi:10.1145/3492805.3492808.
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2022 | Preprint | LibreCat-ID: 32404
Kühne, Thomas, et al. “CP2K on the Road to Exascale.” ArXiv:2205.14741, 2022.
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| arXiv
2022 | Journal Article | LibreCat-ID: 33226 |
Schade, Robert, et al. “Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers.” Phys. Rev. Research, vol. 4, American Physical Society, 2022, p. 033160, doi:10.1103/PhysRevResearch.4.033160.
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2022 | Journal Article | LibreCat-ID: 33684 |
Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing, vol. 111, 102920, Elsevier BV, 2022, doi:10.1016/j.parco.2022.102920.
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2022 | Journal Article | LibreCat-ID: 27364
Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022, doi:10.1016/j.jpdc.2021.10.007.
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2022 | Report | LibreCat-ID: 49113
Ebbers, Janek, and Reinhold Haeb-Umbach. Pre-Training And Self-Training For Sound Event Detection In Domestic Environments. 2022.
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2022 | Conference Paper | LibreCat-ID: 33509
Marschalt, Christoph, et al. “Far-Field Calculation from Magnetic Huygens Box Data Using the Boundary Element Method.” 2022 Smart Systems Integration (SSI), IEEE, 2022, doi:10.1109/ssi56489.2022.9901431.
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