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782 Publications


2022 | Journal Article | LibreCat-ID: 33484 | OA
Padberg, Laura, Viktor Quiring, Adriana Bocchini, Matteo Santandrea, Uwe Gerstmann, Wolf Gero Schmidt, Christine Silberhorn, and Christof Eigner. “DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking.” Crystals 12 (2022): 1359. https://doi.org/10.3390/cryst12101359.
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2022 | Conference Abstract | LibreCat-ID: 33485
Dechert, Christopher, and Eugeny Kenig. “CFD-Based Investigation of the Packing Microstructure Influence on Droplet Behavior and Film Flow.” In Proceedings of the 12th International Conference Distillation & Absorption 2022, 2022.
LibreCat
 

2022 | Journal Article | LibreCat-ID: 33990
Jentzsch, Felix, Yaman Umuroglu, Alessandro Pappalardo, Michaela Blott, and Marco Platzner. “RadioML Meets FINN: Enabling Future RF Applications With FPGA Streaming Architectures.” IEEE Micro 42, no. 6 (2022): 125–33. https://doi.org/10.1109/MM.2022.3202091.
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2022 | Journal Article | LibreCat-ID: 26627 | OA
Neufeld, Sergej, Arno Schindlmayr, and Wolf Gero Schmidt. “Quasiparticle Energies and Optical Response of RbTiOPO4 and KTiOAsO4.” Journal of Physics: Materials 5, no. 1 (2022). https://doi.org/10.1088/2515-7639/ac3384.
LibreCat | Files available | DOI | WoS
 

2022 | Journal Article | LibreCat-ID: 37656
Glahn, Luis Joel, Isaac Azahel Ruiz Alvarado, Sergej Neufeld, Mohammad Amin Zare Pour, Agnieszka Paszuk, David Ostheimer, Sahar Shekarabi, et al. “Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties.” Physica Status Solidi (b) 259, no. 11 (2022). https://doi.org/10.1002/pssb.202200308.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 37710
Ruiz Alvarado, Isaac Azahel, and Wolf Gero Schmidt. “Water/InP(001) from Density Functional Theory.” ACS Omega 7, no. 23 (2022): 19355–64. https://doi.org/10.1021/acsomega.2c00948.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 37681
Moritz, Dominik Christian, Isaac Azahel Ruiz Alvarado, Mohammad Amin Zare Pour, Agnieszka Paszuk, Tilo Frieß, Erich Runge, Jan P. Hofmann, Thomas Hannappel, Wolf Gero Schmidt, and Wolfram Jaegermann. “P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water.” ACS Applied Materials & Interfaces 14, no. 41 (2022): 47255–61. https://doi.org/10.1021/acsami.2c13352.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 40423
Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances 12, no. 22 (2022): 13999–6. https://doi.org/10.1039/d2ra02032g.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 40425
Bathe, Thomas, Chuan-Ding Dong, and Stefan Schumacher. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A 126, no. 13 (2022): 2075–81. https://doi.org/10.1021/acs.jpca.1c09179.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 37713
Murzakhanov, Fadis F., Georgy Vladimirovich Mamin, Sergei Borisovich Orlinskii, Uwe Gerstmann, Wolf Gero Schmidt, Timur Biktagirov, Igor Aharonovich, et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB Spin States in HBN.” Nano Letters 22, no. 7 (2022): 2718–24. https://doi.org/10.1021/acs.nanolett.1c04610.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 33965 | OA
Bocchini, Adriana, Uwe Gerstmann, Tim Bartley, Hans-Georg Steinrück, Gerald Henkel, and Wolf Gero Schmidt. “Electrochemical Performance of KTiOAsO_4 (KTA) in Potassium-Ion Batteries from Density-Functional Theory.” Phys. Rev. Materials 6 (2022): 105401. https://doi.org/10.1103/PhysRevMaterials.6.105401.
LibreCat | Files available | DOI | Download (ext.)
 

2022 | Journal Article | LibreCat-ID: 31254
Bocchini, Adriana, Uwe Gerstmann, and Wolf Gero Schmidt. “Oxygen Vacancies in KTiOPO_4: Optical Absorption from Hybrid DFT.” Phys. Rev. B 105 (2022): 205118. https://doi.org/10.1103/PhysRevB.105.205118.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 27375
Schulz, Andreas Markus, Christian Wecker, Venkatesh Inguva, Alexey S. Lopatin, and Eugeny Y. Kenig. “A PLIC-Based Method for Species Mass Transfer at Free Fluid Interfaces.” Chemical Engineering Science 250 (2022). https://doi.org/10.1016/j.ces.2021.117357.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 28942
Wecker, Christian, Andreas Markus Schulz, Jens Heine, Hans Jörg Bart, and Eugeny Y. Kenig. “Droplet Formation –a Numerical Investigation of Liquid-Liquid Systems with Consideration of Marangoni Convection.” International Journal of Heat and Mass Transfer 188 (2022). https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 44235
Inguva, Venkatesh, Eugeny Y. Kenig, and J. Blair Perot. “A Front-Tracking Method for Two-Phase Flow Simulation with No Spurious Currents.” Journal of Computational Physics 456 (2022).
LibreCat
 

2022 | Journal Article | LibreCat-ID: 30591
Bertling, René, M. Hack, I. Ausner, B. Horschitz, Sören Antonius Bernemann, and Eugeny Kenig. “Modelling Film and Rivulet Flows on Microstructured Surfaces Using CFD Methods.” Chemical Engineering Science 251 (2022). https://doi.org/10.1016/j.ces.2021.117414.
LibreCat | DOI
 

2022 | Conference Paper | LibreCat-ID: 33739 | OA
Bondarenko, Alexander, Magdalena Wolska, Stefan Heindorf, Lukas Blübaum, Axel-Cyrille Ngonga Ngomo, Benno Stein, Pavel Braslavski, Matthias Hagen, and Martin Potthast. “CausalQA: A Benchmark for Causal Question Answering.” In Proceedings of the 29th International Conference on Computational Linguistics, 3296–3308. Gyeongju, Republic of Korea: International Committee on Computational Linguistics, 2022.
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2022 | Preprint | LibreCat-ID: 33493
Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
LibreCat | arXiv
 

2022 | Conference Paper | LibreCat-ID: 46193 | OA
Karp, Martin, Artur Podobas, Tobias Kenter, Niclas Jansson, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “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. https://doi.org/10.1145/3492805.3492808.
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2022 | Preprint | LibreCat-ID: 32404
Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on the Road to Exascale.” ArXiv:2205.14741, 2022.
LibreCat | Download (ext.) | arXiv
 

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