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782 Publications
2022 | Journal Article | LibreCat-ID: 33484 |

L. Padberg et al., “DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking,” Crystals, vol. 12, p. 1359, 2022, doi: 10.3390/cryst12101359.
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2022 | Conference Abstract | LibreCat-ID: 33485
C. Dechert and E. Kenig, “CFD-Based Investigation of the Packing Microstructure Influence on Droplet Behavior and Film Flow,” presented at the The 12th International Conference Distillation & Absorption 2022, Toulouse, France, 2022.
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2022 | Journal Article | LibreCat-ID: 33990
F. Jentzsch, Y. Umuroglu, A. Pappalardo, M. Blott, and M. Platzner, “RadioML Meets FINN: Enabling Future RF Applications With FPGA Streaming Architectures,” IEEE Micro, vol. 42, no. 6, pp. 125–133, 2022, doi: 10.1109/MM.2022.3202091.
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2022 | Journal Article | LibreCat-ID: 26627 |

S. Neufeld, A. Schindlmayr, and W. G. Schmidt, “Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015002, 2022, doi: 10.1088/2515-7639/ac3384.
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2022 | Journal Article | LibreCat-ID: 37656
L. J. Glahn et al., “Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties,” physica status solidi (b), vol. 259, no. 11, Art. no. 2200308, 2022, doi: 10.1002/pssb.202200308.
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2022 | Journal Article | LibreCat-ID: 37710
I. A. Ruiz Alvarado and W. G. Schmidt, “Water/InP(001) from Density Functional Theory,” ACS Omega, vol. 7, no. 23, pp. 19355–19364, 2022, doi: 10.1021/acsomega.2c00948.
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2022 | Journal Article | LibreCat-ID: 37681
D. C. Moritz et al., “P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water,” ACS Applied Materials & Interfaces, vol. 14, no. 41, pp. 47255–47261, 2022, doi: 10.1021/acsami.2c13352.
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2022 | Journal Article | LibreCat-ID: 40423
F. Bauch, C.-D. Dong, and S. Schumacher, “Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids,” RSC Advances, vol. 12, no. 22, pp. 13999–14006, 2022, doi: 10.1039/d2ra02032g.
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2022 | Journal Article | LibreCat-ID: 40425
T. Bathe, C.-D. Dong, and S. Schumacher, “Microscopic Study of Molecular Double Doping,” The Journal of Physical Chemistry A, vol. 126, no. 13, pp. 2075–2081, 2022, doi: 10.1021/acs.jpca.1c09179.
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2022 | Journal Article | LibreCat-ID: 37713
F. F. Murzakhanov et al., “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN,” Nano Letters, vol. 22, no. 7, pp. 2718–2724, 2022, doi: 10.1021/acs.nanolett.1c04610.
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2022 | Journal Article | LibreCat-ID: 33965 |

A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, and W. G. Schmidt, “Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory,” Phys. Rev. Materials, vol. 6, p. 105401, 2022, doi: 10.1103/PhysRevMaterials.6.105401.
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2022 | Journal Article | LibreCat-ID: 31254
A. Bocchini, U. Gerstmann, and W. G. Schmidt, “Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT,” Phys. Rev. B, vol. 105, p. 205118, 2022, doi: 10.1103/PhysRevB.105.205118.
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2022 | Journal Article | LibreCat-ID: 27375
A. M. Schulz, C. Wecker, V. Inguva, A. S. Lopatin, and E. Y. Kenig, “A PLIC-based method for species mass transfer at free fluid interfaces,” Chemical Engineering Science, vol. 250, 2022, doi: 10.1016/j.ces.2021.117357.
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2022 | Journal Article | LibreCat-ID: 28942
C. Wecker, A. M. Schulz, J. Heine, H. J. Bart, and E. Y. Kenig, “Droplet formation –a numerical investigation of liquid-liquid systems with consideration of Marangoni convection,” International Journal of Heat and Mass Transfer, vol. 188, 2022, doi: 10.1016/j.ijheatmasstransfer.2021.122465.
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2022 | Journal Article | LibreCat-ID: 44235
V. Inguva, E. Y. Kenig, and J. B. Perot, “A front-tracking method for two-phase flow simulation with no spurious currents,” Journal of Computational Physics, vol. 456, Art. no. 1110066, 2022.
LibreCat
2022 | Journal Article | LibreCat-ID: 30591
R. Bertling, M. Hack, I. Ausner, B. Horschitz, S. A. Bernemann, and E. Kenig, “Modelling film and rivulet flows on microstructured surfaces using CFD methods,” Chemical Engineering Science, vol. 251, Art. no. 117414, 2022, doi: 10.1016/j.ces.2021.117414.
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2022 | Conference Paper | LibreCat-ID: 33739 |

A. Bondarenko et al., “CausalQA: A Benchmark for Causal Question Answering,” in Proceedings of the 29th International Conference on Computational Linguistics, 2022, pp. 3296–3308.
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2022 | Conference Paper | LibreCat-ID: 46193 |

M. Karp et al., “A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges,” 2022, doi: 10.1145/3492805.3492808.
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2022 | Preprint | LibreCat-ID: 32404
T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,” arXiv:2205.14741. 2022.
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