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727 Publications
2022 | Journal Article | LibreCat-ID: 37710
@article{Ruiz Alvarado_Schmidt_2022, title={Water/InP(001) from Density Functional Theory}, volume={7}, DOI={10.1021/acsomega.2c00948}, number={23}, journal={ACS Omega}, publisher={American Chemical Society (ACS)}, author={Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero}, year={2022}, pages={19355–19364} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37681
@article{Moritz_Ruiz Alvarado_Zare Pour_Paszuk_Frieß_Runge_Hofmann_Hannappel_Schmidt_Jaegermann_2022, title={P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water}, volume={14}, DOI={10.1021/acsami.2c13352}, number={41}, journal={ACS Applied Materials & Interfaces}, publisher={American Chemical Society (ACS)}, author={Moritz, Dominik Christian and Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Frieß, Tilo and Runge, Erich and Hofmann, Jan P. and Hannappel, Thomas and Schmidt, Wolf Gero and Jaegermann, Wolfram}, year={2022}, pages={47255–47261} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 40423
@article{Bauch_Dong_Schumacher_2022, title={Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}, volume={12}, DOI={10.1039/d2ra02032g}, number={22}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2022}, pages={13999–14006} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 40425
@article{Bathe_Dong_Schumacher_2022, title={Microscopic Study of Molecular Double Doping}, volume={126}, DOI={10.1021/acs.jpca.1c09179}, number={13}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Bathe, Thomas and Dong, Chuan-Ding and Schumacher, Stefan}, year={2022}, pages={2075–2081} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37713
@article{Murzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title={Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN}, volume={22}, DOI={10.1021/acs.nanolett.1c04610}, number={7}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al.}, year={2022}, pages={2718–2724} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 33965 | 
@article{Bocchini_Gerstmann_Bartley_Steinrück_Henkel_Schmidt_2022, title={Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory}, volume={6}, DOI={10.1103/PhysRevMaterials.6.105401}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Bartley, Tim and Steinrück, Hans-Georg and Henkel, Gerald and Schmidt, Wolf Gero}, year={2022}, pages={105401} }
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2022 | Journal Article | LibreCat-ID: 31254
@article{Bocchini_Gerstmann_Schmidt_2022, title={Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT}, volume={105}, DOI={10.1103/PhysRevB.105.205118}, journal={Phys. Rev. B}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={205118} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 27375
@article{Schulz_Wecker_Inguva_Lopatin_Kenig_2022, title={A PLIC-based method for species mass transfer at free fluid interfaces}, volume={250}, DOI={10.1016/j.ces.2021.117357}, journal={Chemical Engineering Science}, publisher={Elsevier}, author={Schulz, Andreas Markus and Wecker, Christian and Inguva, Venkatesh and Lopatin, Alexey S. and Kenig, Eugeny Y.}, year={2022} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 28942
@article{Wecker_Schulz_Heine_Bart_Kenig_2022, title={Droplet formation –a numerical investigation of liquid-liquid systems with consideration of Marangoni convection}, volume={188}, DOI={10.1016/j.ijheatmasstransfer.2021.122465}, journal={International Journal of Heat and Mass Transfer}, publisher={ELSEVIER}, author={Wecker, Christian and Schulz, Andreas Markus and Heine, Jens and Bart, Hans Jörg and Kenig, Eugeny Y.}, year={2022} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 44235
@article{Inguva_Kenig_Perot_2022, title={A front-tracking method for two-phase flow simulation with no spurious currents}, volume={456}, number={1110066}, journal={Journal of Computational Physics}, publisher={Elsevier}, author={Inguva, Venkatesh and Kenig, Eugeny Y. and Perot, J. Blair}, year={2022} }
LibreCat
2022 | Journal Article | LibreCat-ID: 30591
@article{Bertling_Hack_Ausner_Horschitz_Bernemann_Kenig_2022, title={Modelling film and rivulet flows on microstructured surfaces using CFD methods}, volume={251}, DOI={10.1016/j.ces.2021.117414}, number={117414}, journal={Chemical Engineering Science}, publisher={Elsevier BV}, author={Bertling, René and Hack, M. and Ausner, I. and Horschitz, B. and Bernemann, Sören Antonius and Kenig, Eugeny}, year={2022} }
LibreCat
| DOI
2022 | Conference Paper | LibreCat-ID: 33739 |
@inproceedings{Bondarenko_Wolska_Heindorf_Blübaum_Ngonga Ngomo_Stein_Braslavski_Hagen_Potthast_2022, place={Gyeongju, Republic of Korea}, title={CausalQA: A Benchmark for Causal Question Answering}, booktitle={Proceedings of the 29th International Conference on Computational Linguistics}, publisher={International Committee on Computational Linguistics}, author={Bondarenko, Alexander and Wolska, Magdalena and Heindorf, Stefan and Blübaum, Lukas and Ngonga Ngomo, Axel-Cyrille and Stein, Benno and Braslavski, Pavel and Hagen, Matthias and Potthast, Martin}, year={2022}, pages={3296–3308} }
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2022 | Preprint | LibreCat-ID: 33493
@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747}, author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson, William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }
LibreCat
| arXiv
2022 | Conference Paper | LibreCat-ID: 46193 |
@inproceedings{Karp_Podobas_Kenter_Jansson_Plessl_Schlatter_Markidis_2022, title={A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges}, DOI={10.1145/3492805.3492808}, booktitle={International Conference on High Performance Computing in Asia-Pacific Region}, publisher={ACM}, author={Karp, Martin and Podobas, Artur and Kenter, Tobias and Jansson, Niclas and Plessl, Christian and Schlatter, Philipp and Markidis, Stefano}, year={2022} }
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2022 | Preprint | LibreCat-ID: 32404
@article{Kühne_Plessl_Schade_Schütt_2022, title={CP2K on the road to exascale}, journal={arXiv:2205.14741}, author={Kühne, Thomas and Plessl, Christian and Schade, Robert and Schütt, Ole}, year={2022} }
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| arXiv
2022 | Journal Article | LibreCat-ID: 33226 |
@article{Schade_Bauer_Tamoev_Mazur_Plessl_Kühne_2022, title={Parallel quantum chemistry on noisy intermediate-scale quantum computers}, volume={4}, DOI={10.1103/PhysRevResearch.4.033160}, journal={Phys. Rev. Research}, publisher={American Physical Society}, author={Schade, Robert and Bauer, Carsten and Tamoev, Konstantin and Mazur, Lukas and Plessl, Christian and Kühne, Thomas}, year={2022}, pages={033160} }
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2022 | Preprint | LibreCat-ID: 46275
@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747}, author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson, William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }
LibreCat
| arXiv
2022 | Journal Article | LibreCat-ID: 33684 |
@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }
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2022 | Journal Article | LibreCat-ID: 27364
@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL}, DOI={10.1016/j.jpdc.2021.10.007}, journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius and Kenter, Tobias and Plessl, Christian}, year={2022} }
LibreCat
| DOI
2022 | Conference Paper | LibreCat-ID: 33471
@inproceedings{Heitkämper_Schmalenstroeer_Haeb-Umbach, place={Belgrad}, title={Neural Network Based Carrier Frequency Offset Estimation From Speech Transmitted Over High Frequency Channels}, booktitle={Proceedings of the 30th European Signal Processing Conference (EUSIPCO)}, author={Heitkämper, Jens and Schmalenstroeer, Joerg and Haeb-Umbach, Reinhold} }
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