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776 Publications
2022 | Journal Article | LibreCat-ID: 37681
Moritz DC, Ruiz Alvarado IA, Zare Pour MA, et al. P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water. ACS Applied Materials & Interfaces. 2022;14(41):47255-47261. doi:10.1021/acsami.2c13352
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| DOI
2022 | Journal Article | LibreCat-ID: 40423
Bauch F, Dong C-D, Schumacher S. Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids. RSC Advances. 2022;12(22):13999-14006. doi:10.1039/d2ra02032g
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| DOI
2022 | Journal Article | LibreCat-ID: 40425
Bathe T, Dong C-D, Schumacher S. Microscopic Study of Molecular Double Doping. The Journal of Physical Chemistry A. 2022;126(13):2075-2081. doi:10.1021/acs.jpca.1c09179
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| DOI
2022 | Journal Article | LibreCat-ID: 37713
Murzakhanov FF, Mamin GV, Orlinskii SB, et al. Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN. Nano Letters. 2022;22(7):2718-2724. doi:10.1021/acs.nanolett.1c04610
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| DOI
2022 | Journal Article | LibreCat-ID: 33965 | 
Bocchini A, Gerstmann U, Bartley T, Steinrück H-G, Henkel G, Schmidt WG. Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys Rev Materials. 2022;6:105401. doi:10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini A, Gerstmann U, Schmidt WG. Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT. Phys Rev B. 2022;105:205118. doi:10.1103/PhysRevB.105.205118
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2022 | Journal Article | LibreCat-ID: 27375
Schulz AM, Wecker C, Inguva V, Lopatin AS, Kenig EY. A PLIC-based method for species mass transfer at free fluid interfaces. Chemical Engineering Science. 2022;250. doi:10.1016/j.ces.2021.117357
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| DOI
2022 | Journal Article | LibreCat-ID: 28942
Wecker C, Schulz AM, Heine J, Bart HJ, Kenig EY. Droplet formation –a numerical investigation of liquid-liquid systems with consideration of Marangoni convection. International Journal of Heat and Mass Transfer. 2022;188. doi:10.1016/j.ijheatmasstransfer.2021.122465
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2022 | Journal Article | LibreCat-ID: 44235
Inguva V, Kenig EY, Perot JB. A front-tracking method for two-phase flow simulation with no spurious currents. Journal of Computational Physics. 2022;456.
LibreCat
2022 | Journal Article | LibreCat-ID: 30591
Bertling R, Hack M, Ausner I, Horschitz B, Bernemann SA, Kenig E. Modelling film and rivulet flows on microstructured surfaces using CFD methods. Chemical Engineering Science. 2022;251. doi:10.1016/j.ces.2021.117414
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2022 | Conference Paper | LibreCat-ID: 33739 |
Bondarenko A, Wolska M, Heindorf S, et al. CausalQA: A Benchmark for Causal Question Answering. In: Proceedings of the 29th International Conference on Computational Linguistics. International Committee on Computational Linguistics; 2022:3296–3308.
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2022 | Conference Paper | LibreCat-ID: 46193 |
Karp M, Podobas A, Kenter T, et al. A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges. In: 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 T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. arXiv:220514741. Published online 2022.
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2022 | Journal Article | LibreCat-ID: 33226 |
Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry on noisy intermediate-scale quantum computers. Phys Rev Research. 2022;4:033160. doi:10.1103/PhysRevResearch.4.033160
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2022 | Journal Article | LibreCat-ID: 33684 |
Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing. 2022;111. doi:10.1016/j.parco.2022.102920
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2022 | Journal Article | LibreCat-ID: 27364
Meyer M, Kenter T, Plessl C. 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. Published online 2022. doi:10.1016/j.jpdc.2021.10.007
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2022 | Report | LibreCat-ID: 49113
Ebbers J, Haeb-Umbach R. Pre-Training And Self-Training For Sound Event Detection In Domestic Environments.; 2022.
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2022 | Conference Paper | LibreCat-ID: 33509
Marschalt C, Schroder D, Lange S, et al. Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method. In: 2022 Smart Systems Integration (SSI). IEEE; 2022. doi:10.1109/ssi56489.2022.9901431
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