[{"supervisor":[{"full_name":"Bauer, Matthias","last_name":"Bauer","first_name":"Matthias","id":"47241"}],"citation":{"short":"K. Stührenberg, Phenanthroline-Basierte Kupferkomplexe Für Wasserspaltungsanwendungen, 2017.","chicago":"Stührenberg, Kai. <i>Phenanthroline-Basierte Kupferkomplexe Für Wasserspaltungsanwendungen</i>, 2017. <a href=\"https://doi.org/10.17619/UNIPB/1-253\">https://doi.org/10.17619/UNIPB/1-253</a>.","ieee":"K. Stührenberg, <i>Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen</i>. 2017.","apa":"Stührenberg, K. (2017). <i>Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen</i>. <a href=\"https://doi.org/10.17619/UNIPB/1-253\">https://doi.org/10.17619/UNIPB/1-253</a>","bibtex":"@book{Stührenberg_2017, title={Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen}, DOI={<a href=\"https://doi.org/10.17619/UNIPB/1-253\">10.17619/UNIPB/1-253</a>}, author={Stührenberg, Kai}, year={2017} }","ama":"Stührenberg K. <i>Phenanthroline-Basierte Kupferkomplexe Für Wasserspaltungsanwendungen</i>.; 2017. doi:<a href=\"https://doi.org/10.17619/UNIPB/1-253\">10.17619/UNIPB/1-253</a>","mla":"Stührenberg, Kai. <i>Phenanthroline-Basierte Kupferkomplexe Für Wasserspaltungsanwendungen</i>. 2017, doi:<a href=\"https://doi.org/10.17619/UNIPB/1-253\">10.17619/UNIPB/1-253</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2020-03-23T13:11:06Z","department":[{"_id":"35"},{"_id":"306"}],"type":"dissertation","author":[{"full_name":"Stührenberg, Kai","last_name":"Stührenberg","first_name":"Kai"}],"year":"2017","status":"public","title":"Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen","date_updated":"2022-01-06T06:52:49Z","language":[{"iso":"eng"}],"_id":"16332","main_file_link":[{"url":"http://digital.ub.uni-paderborn.de/hs/content/titleinfo/2688564"}],"doi":"10.17619/UNIPB/1-253","user_id":"54038"},{"place":"Cham","date_created":"2019-09-09T09:30:08Z","type":"conference","citation":{"ieee":"D. Müller, S. Guericke, and K. Tierney, “Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem,” in <i>Computational Logistics</i>, 2017, pp. 306–320.","mla":"Müller, Daniel, et al. “Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem.” <i>Computational Logistics</i>, edited by Tolga Bektac et al., Springer International Publishing, 2017, pp. 306–20.","apa":"Müller, D., Guericke, S., &#38; Tierney, K. (2017). Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem. In T. Bektac, S. Coniglio, A. Martinez-Sykora, &#38; S. Voß (Eds.), <i>Computational Logistics</i> (pp. 306–320). Cham: Springer International Publishing.","bibtex":"@inproceedings{Müller_Guericke_Tierney_2017, place={Cham}, title={Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem}, booktitle={Computational Logistics}, publisher={Springer International Publishing}, author={Müller, Daniel and Guericke, Stefan and Tierney, Kevin}, editor={Bektac, Tolga and Coniglio, Stefano and Martinez-Sykora, Antonio and Voß, StefanEditors}, year={2017}, pages={306–320} }","chicago":"Müller, Daniel, Stefan Guericke, and Kevin Tierney. “Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem.” In <i>Computational Logistics</i>, edited by Tolga Bektac, Stefano Coniglio, Antonio Martinez-Sykora, and Stefan Voß, 306–20. Cham: Springer International Publishing, 2017.","ama":"Müller D, Guericke S, Tierney K. Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem. In: Bektac T, Coniglio S, Martinez-Sykora A, Voß S, eds. <i>Computational Logistics</i>. Cham: Springer International Publishing; 2017:306-320.","short":"D. Müller, S. Guericke, K. Tierney, in: T. Bektac, S. Coniglio, A. Martinez-Sykora, S. Voß (Eds.), Computational Logistics, Springer International Publishing, Cham, 2017, pp. 306–320."},"publication":"Computational Logistics","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"abstract":[{"lang":"eng","text":"Liner carriers change their network on a regular basis, and they are therefore interested in a practical evaluation of the impact these changes have on the cargo flows in their networks. Despite great advancements in the practical applicability of network evaluators in recent years, vessel deployment continues to be considered as an input into the problem, rather than a decision. In this paper, we propose an extension of a state-of-the-art mixed integer programming model for the LSCAP that incorporates the optimization of vessel count and vessel classes for each service. We perform a computational analysis on liner shipping networks of different sizes and compare our optimized results to fixed deployment scenarios. By integrating fleet deployment decisions into the cargo allocation problem, liner carriers can increase the profitability of their networks by at least 2.8 to 16.9{\\%} and greatly enhance their decision making."}],"_id":"13156","language":[{"iso":"eng"}],"publisher":"Springer International Publishing","page":"306-320","editor":[{"full_name":"Bektac, Tolga","last_name":"Bektac","first_name":"Tolga"},{"full_name":"Coniglio, Stefano","first_name":"Stefano","last_name":"Coniglio"},{"last_name":"Martinez-Sykora","first_name":"Antonio","full_name":"Martinez-Sykora, Antonio"},{"last_name":"Voß","first_name":"Stefan","full_name":"Voß, Stefan"}],"user_id":"40778","publication_identifier":{"isbn":["978-3-319-68496-3"]},"author":[{"last_name":"Müller","first_name":"Daniel","full_name":"Müller, Daniel"},{"last_name":"Guericke","first_name":"Stefan","full_name":"Guericke, Stefan"},{"full_name":"Tierney, Kevin","last_name":"Tierney","first_name":"Kevin"}],"title":"Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem","year":"2017","status":"public","date_updated":"2022-01-06T06:51:29Z"},{"date_created":"2019-09-09T09:34:14Z","type":"conference","citation":{"mla":"Ansotegui, Carlos, et al. “Reactive Dialectic Search Portfolios for MaxSAT.” <i>AAAI</i>, 2017, pp. 765–72.","ama":"Ansotegui C, Pon J, Sellmann M, Tierney K. Reactive Dialectic Search Portfolios for MaxSAT. In: <i>AAAI</i>. ; 2017:765-772.","bibtex":"@inproceedings{Ansotegui_Pon_Sellmann_Tierney_2017, title={Reactive Dialectic Search Portfolios for MaxSAT.}, booktitle={AAAI}, author={Ansotegui, Carlos and Pon, Josep and Sellmann, Meinolf and Tierney, Kevin}, year={2017}, pages={765–772} }","apa":"Ansotegui, C., Pon, J., Sellmann, M., &#38; Tierney, K. (2017). Reactive Dialectic Search Portfolios for MaxSAT. In <i>AAAI</i> (pp. 765–772).","ieee":"C. Ansotegui, J. Pon, M. Sellmann, and K. Tierney, “Reactive Dialectic Search Portfolios for MaxSAT.,” in <i>AAAI</i>, 2017, pp. 765–772.","chicago":"Ansotegui, Carlos, Josep Pon, Meinolf Sellmann, and Kevin Tierney. “Reactive Dialectic Search Portfolios for MaxSAT.” In <i>AAAI</i>, 765–72, 2017.","short":"C. Ansotegui, J. Pon, M. Sellmann, K. Tierney, in: AAAI, 2017, pp. 765–772."},"publication":"AAAI","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"_id":"13157","page":"765-772","user_id":"40778","author":[{"first_name":"Carlos","last_name":"Ansotegui","full_name":"Ansotegui, Carlos"},{"first_name":"Josep","last_name":"Pon","full_name":"Pon, Josep"},{"first_name":"Meinolf","last_name":"Sellmann","full_name":"Sellmann, Meinolf"},{"full_name":"Tierney, Kevin","last_name":"Tierney","first_name":"Kevin"}],"year":"2017","title":"Reactive Dialectic Search Portfolios for MaxSAT.","status":"public","date_updated":"2022-01-06T06:51:29Z"},{"page":"1475-1483","_id":"13187","language":[{"iso":"eng"}],"user_id":"40778","doi":"10.1002/ceat.201600691","volume":40,"title":"Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer","year":"2017","status":"public","author":[{"full_name":"Oppermann, Alexander","first_name":"Alexander","last_name":"Oppermann"},{"last_name":"Laurini","first_name":"Larissa","full_name":"Laurini, Larissa"},{"first_name":"Fabian","last_name":"Etscheidt","full_name":"Etscheidt, Fabian"},{"full_name":"Hollmann, Katharina","first_name":"Katharina","last_name":"Hollmann"},{"full_name":"Strassl, Florian","last_name":"Strassl","first_name":"Florian"},{"full_name":"Hoffmann, Alexander","last_name":"Hoffmann","first_name":"Alexander"},{"first_name":"Daniela","last_name":"Schurr","full_name":"Schurr, Daniela"},{"last_name":"Dittmeyer","first_name":"Roland","full_name":"Dittmeyer, Roland"},{"first_name":"Günter","last_name":"Rinke","full_name":"Rinke, Günter"},{"last_name":"Herres-Pawlis","first_name":"Sonja","full_name":"Herres-Pawlis, Sonja"}],"date_updated":"2022-01-06T06:51:30Z","intvolume":"        40","date_created":"2019-09-11T11:01:30Z","keyword":["Copper guanidine complexes","Nitric oxide","SuperFocus mixer"],"type":"journal_article","publication":"Chemical Engineering \\& Technology","issue":"8","citation":{"mla":"Oppermann, Alexander, et al. “Detection of Copper Bisguanidine NO Adducts by UV-Vis Spectroscopy and a SuperFocus Mixer.” <i>Chemical Engineering \\&#38; Technology</i>, vol. 40, no. 8, 2017, pp. 1475–83, doi:<a href=\"https://doi.org/10.1002/ceat.201600691\">10.1002/ceat.201600691</a>.","bibtex":"@article{Oppermann_Laurini_Etscheidt_Hollmann_Strassl_Hoffmann_Schurr_Dittmeyer_Rinke_Herres-Pawlis_2017, title={Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer}, volume={40}, DOI={<a href=\"https://doi.org/10.1002/ceat.201600691\">10.1002/ceat.201600691</a>}, number={8}, journal={Chemical Engineering \\&#38; Technology}, author={Oppermann, Alexander and Laurini, Larissa and Etscheidt, Fabian and Hollmann, Katharina and Strassl, Florian and Hoffmann, Alexander and Schurr, Daniela and Dittmeyer, Roland and Rinke, Günter and Herres-Pawlis, Sonja}, year={2017}, pages={1475–1483} }","ama":"Oppermann A, Laurini L, Etscheidt F, et al. Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer. <i>Chemical Engineering \\&#38; Technology</i>. 2017;40(8):1475-1483. doi:<a href=\"https://doi.org/10.1002/ceat.201600691\">10.1002/ceat.201600691</a>","ieee":"A. Oppermann <i>et al.</i>, “Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer,” <i>Chemical Engineering \\&#38; Technology</i>, vol. 40, no. 8, pp. 1475–1483, 2017.","apa":"Oppermann, A., Laurini, L., Etscheidt, F., Hollmann, K., Strassl, F., Hoffmann, A., … Herres-Pawlis, S. (2017). Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer. <i>Chemical Engineering \\&#38; Technology</i>, <i>40</i>(8), 1475–1483. <a href=\"https://doi.org/10.1002/ceat.201600691\">https://doi.org/10.1002/ceat.201600691</a>","chicago":"Oppermann, Alexander, Larissa Laurini, Fabian Etscheidt, Katharina Hollmann, Florian Strassl, Alexander Hoffmann, Daniela Schurr, Roland Dittmeyer, Günter Rinke, and Sonja Herres-Pawlis. “Detection of Copper Bisguanidine NO Adducts by UV-Vis Spectroscopy and a SuperFocus Mixer.” <i>Chemical Engineering \\&#38; Technology</i> 40, no. 8 (2017): 1475–83. <a href=\"https://doi.org/10.1002/ceat.201600691\">https://doi.org/10.1002/ceat.201600691</a>.","short":"A. Oppermann, L. Laurini, F. Etscheidt, K. Hollmann, F. Strassl, A. Hoffmann, D. Schurr, R. Dittmeyer, G. Rinke, S. Herres-Pawlis, Chemical Engineering \\&#38; Technology 40 (2017) 1475–1483."},"abstract":[{"text":"Abstract The reaction of Cu(I) bisguanidine complexes with nitric oxide and the formation of intermediate species were monitored via UV-vis spectroscopy at low temperature, with the occurrence of characteristic absorption bands. The origin of the emerging species and their character were substantiated by electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) studies showing a delocalized {CuNO}11 radical species. Furthermore, this system was transferred to the SuperFocus mixer setup, which allows rapid mixing and the determination of decay constants at ambient temperatures of the thermally sensitive species. However, these experiments demonstrated the limits of these systems, such as the NO saturation in organic solvents and a preferably precise temperature control within the SuperFocus mixer, which should be addressed in the future.","lang":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"citation":{"bibtex":"@article{Gruzberg_Klümper_Nuding_Sedrakyan_2017, title={Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions}, volume={95}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.95.125414\">10.1103/PhysRevB.95.125414</a>}, journal={Phys. Rev. B}, publisher={American Physical Society}, author={Gruzberg, Ilya and Klümper, Andreas and Nuding, Win and Sedrakyan, Ara}, year={2017}, pages={125414} }","ama":"Gruzberg I, Klümper A, Nuding W, Sedrakyan A. Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions. <i>Phys Rev B</i>. 2017;95:125414. doi:<a href=\"https://doi.org/10.1103/PhysRevB.95.125414\">10.1103/PhysRevB.95.125414</a>","mla":"Gruzberg, Ilya, et al. “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions.” <i>Phys. Rev. B</i>, vol. 95, American Physical Society, 2017, p. 125414, doi:<a href=\"https://doi.org/10.1103/PhysRevB.95.125414\">10.1103/PhysRevB.95.125414</a>.","short":"I. Gruzberg, A. Klümper, W. Nuding, A. Sedrakyan, Phys. Rev. B 95 (2017) 125414.","chicago":"Gruzberg, Ilya, Andreas Klümper, Win Nuding, and Ara Sedrakyan. “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions.” <i>Phys. Rev. B</i> 95 (2017): 125414. <a href=\"https://doi.org/10.1103/PhysRevB.95.125414\">https://doi.org/10.1103/PhysRevB.95.125414</a>.","ieee":"I. Gruzberg, A. Klümper, W. Nuding, and A. Sedrakyan, “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions,” <i>Phys. Rev. B</i>, vol. 95, p. 125414, 2017.","apa":"Gruzberg, I., Klümper, A., Nuding, W., &#38; Sedrakyan, A. (2017). Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions. <i>Phys. Rev. B</i>, <i>95</i>, 125414. <a href=\"https://doi.org/10.1103/PhysRevB.95.125414\">https://doi.org/10.1103/PhysRevB.95.125414</a>"},"publication":"Phys. Rev. B","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-13T07:06:52Z","type":"journal_article","author":[{"last_name":"Gruzberg","first_name":"Ilya","full_name":"Gruzberg, Ilya"},{"last_name":"Klümper","first_name":"Andreas","full_name":"Klümper, Andreas"},{"full_name":"Nuding, Win","last_name":"Nuding","first_name":"Win"},{"full_name":"Sedrakyan, Ara","first_name":"Ara","last_name":"Sedrakyan"}],"year":"2017","status":"public","title":"Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions","intvolume":"        95","date_updated":"2022-01-06T06:51:30Z","publisher":"American Physical Society","_id":"13200","language":[{"iso":"eng"}],"page":"125414","volume":95,"user_id":"40778","doi":"10.1103/PhysRevB.95.125414"},{"page":"2276-2282","_id":"13238","user_id":"71692","volume":38,"status":"public","citation":{"ieee":"A. Lücke, U. Gerstmann, T. D. Kühne, and W. G. Schmidt, “Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition,” <i>Journal of Computational Chemistry</i>, vol. 38, no. 26, pp. 2276–2282, 2017.","apa":"Lücke, A., Gerstmann, U., Kühne, T. D., &#38; Schmidt, W. G. (2017). Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition. <i>Journal of Computational Chemistry</i>, <i>38</i>(26), 2276–2282. <a href=\"https://doi.org/10.1002/jcc.24878\">https://doi.org/10.1002/jcc.24878</a>","chicago":"Lücke, Andreas, Uwe Gerstmann, Thomas D. Kühne, and Wolf G. Schmidt. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) – (4 × 1) Phase Transition.” <i>Journal of Computational Chemistry</i> 38, no. 26 (2017): 2276–82. <a href=\"https://doi.org/10.1002/jcc.24878\">https://doi.org/10.1002/jcc.24878</a>.","short":"A. Lücke, U. Gerstmann, T.D. Kühne, W.G. Schmidt, Journal of Computational Chemistry 38 (2017) 2276–2282.","mla":"Lücke, Andreas, et al. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) – (4 × 1) Phase Transition.” <i>Journal of Computational Chemistry</i>, vol. 38, no. 26, 2017, pp. 2276–82, doi:<a href=\"https://doi.org/10.1002/jcc.24878\">10.1002/jcc.24878</a>.","bibtex":"@article{Lücke_Gerstmann_Kühne_Schmidt_2017, title={Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition}, volume={38}, DOI={<a href=\"https://doi.org/10.1002/jcc.24878\">10.1002/jcc.24878</a>}, number={26}, journal={Journal of Computational Chemistry}, author={Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf G.}, year={2017}, pages={2276–2282} }","ama":"Lücke A, Gerstmann U, Kühne TD, Schmidt WG. Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition. <i>Journal of Computational Chemistry</i>. 2017;38(26):2276-2282. doi:<a href=\"https://doi.org/10.1002/jcc.24878\">10.1002/jcc.24878</a>"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"doi":"10.1002/jcc.24878","year":"2017","title":"Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition","author":[{"first_name":"Andreas","last_name":"Lücke","full_name":"Lücke, Andreas"},{"first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe"},{"first_name":"Thomas D.","last_name":"Kühne","full_name":"Kühne, Thomas D."},{"full_name":"Schmidt, Wolf G.","last_name":"Schmidt","first_name":"Wolf G."}],"publication_status":"published","date_updated":"2022-01-06T06:51:31Z","intvolume":"        38","date_created":"2019-09-16T12:39:15Z","keyword":["density functional theory","bonding","crystal orbital Hamilton population","indium nanowires","phase transition"],"type":"journal_article","department":[{"_id":"304"}],"publication":"Journal of Computational Chemistry","issue":"26","abstract":[{"text":"A numerically efficient yet highly accurate implementation of the crystal orbital Hamilton population (COHP) scheme for plane-wave calculations is presented. It is based on the projector-augmented wave (PAW) formalism in combination with norm-conserving pseudopotentials and allows to extract chemical interactions between atoms from band-structure calculations even for large and complex systems. The potential of the present COHP implementation is demonstrated by an in-depth analysis of the intensively investigated metal-insulator transition in atomic-scale indium wires self-assembled on the Si(111) surface. Thereby bond formation between In atoms of adjacent zigzag chains is found to be instrumental for the phase change. © 2017 Wiley Periodicals, Inc.","lang":"eng"}]},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"short":"Sam  Azadi, T.D. Kühne, The Journal of Chemical Physics 146 (2017) 084503.","chicago":"Azadi,  Sam , and Thomas D. Kühne. “High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo.” <i>The Journal of Chemical Physics</i> 146, no. 8 (2017): 084503. <a href=\"https://doi.org/10.1063/1.4976836\">https://doi.org/10.1063/1.4976836</a>.","apa":"Azadi,  Sam , &#38; Kühne, T. D. (2017). High-pressure hydrogen sulfide by diffusion quantum Monte Carlo. <i>The Journal of Chemical Physics</i>, <i>146</i>(8), 084503. <a href=\"https://doi.org/10.1063/1.4976836\">https://doi.org/10.1063/1.4976836</a>","ieee":"Sam  Azadi and T. D. Kühne, “High-pressure hydrogen sulfide by diffusion quantum Monte Carlo,” <i>The Journal of Chemical Physics</i>, vol. 146, no. 8, p. 084503, 2017.","ama":"Azadi  Sam , Kühne TD. High-pressure hydrogen sulfide by diffusion quantum Monte Carlo. <i>The Journal of Chemical Physics</i>. 2017;146(8):084503. doi:<a href=\"https://doi.org/10.1063/1.4976836\">10.1063/1.4976836</a>","bibtex":"@article{Azadi_Kühne_2017, title={High-pressure hydrogen sulfide by diffusion quantum Monte Carlo}, volume={146}, DOI={<a href=\"https://doi.org/10.1063/1.4976836\">10.1063/1.4976836</a>}, number={8}, journal={The Journal of Chemical Physics}, author={Azadi,  Sam  and Kühne, Thomas D.}, year={2017}, pages={084503} }","mla":"Azadi,  Sam , and Thomas D. Kühne. “High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo.” <i>The Journal of Chemical Physics</i>, vol. 146, no. 8, 2017, p. 084503, doi:<a href=\"https://doi.org/10.1063/1.4976836\">10.1063/1.4976836</a>."},"publication":"The Journal of Chemical Physics","issue":"8","department":[{"_id":"304"}],"type":"journal_article","date_created":"2019-09-16T12:51:16Z","intvolume":"       146","publication_status":"published","date_updated":"2022-01-06T06:51:31Z","author":[{"full_name":"Azadi,  Sam ","first_name":" Sam ","last_name":"Azadi"},{"first_name":"Thomas D.","last_name":"Kühne","full_name":"Kühne, Thomas D."}],"title":"High-pressure hydrogen sulfide by diffusion quantum Monte Carlo","status":"public","year":"2017","volume":146,"user_id":"71692","doi":"10.1063/1.4976836","_id":"13239","language":[{"iso":"eng"}],"page":"084503"},{"abstract":[{"text":"Initial state-selected reaction probabilities for the H+CH4→H2+CH3 reaction on a recently developed potential energy surface which employs neutral network fitting based on permutational invariant polynomials are reported. The quantum dynamics calculations use the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and study the reaction process in full-dimensionality for vanishing total angular momentum. A detailed comparison with previous results obtained on other high-level potential energy surfaces is given. The connection between the level of quantum state resolution and the sensitivity of the results on differences in the potential energy surfaces is highlighted. Employing a decomposition of the total reactivity into contributions of the different vibrational states of the activated complex, it is found that differences between the potential energy surfaces are mainly related to the umbrella motion of the methyl group.","lang":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Chemical Physics","citation":{"mla":"Ellerbrock, Roman, and Uwe Manthe. “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces.” <i>Chemical Physics</i>, vol. 482, 2017, pp. 106–12, doi:<a href=\"https://doi.org/10.1016/j.chemphys.2016.08.032\">https://doi.org/10.1016/j.chemphys.2016.08.032</a>.","ama":"Ellerbrock R, Manthe U. H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces. <i>Chemical Physics</i>. 2017;482:106-112. doi:<a href=\"https://doi.org/10.1016/j.chemphys.2016.08.032\">https://doi.org/10.1016/j.chemphys.2016.08.032</a>","bibtex":"@article{Ellerbrock_Manthe_2017, title={H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces}, volume={482}, DOI={<a href=\"https://doi.org/10.1016/j.chemphys.2016.08.032\">https://doi.org/10.1016/j.chemphys.2016.08.032</a>}, journal={Chemical Physics}, author={Ellerbrock, Roman and Manthe, Uwe}, year={2017}, pages={106–112} }","apa":"Ellerbrock, R., &#38; Manthe, U. (2017). H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces. <i>Chemical Physics</i>, <i>482</i>, 106–112. <a href=\"https://doi.org/10.1016/j.chemphys.2016.08.032\">https://doi.org/10.1016/j.chemphys.2016.08.032</a>","ieee":"R. Ellerbrock and U. Manthe, “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces,” <i>Chemical Physics</i>, vol. 482, pp. 106–112, 2017.","chicago":"Ellerbrock, Roman, and Uwe Manthe. “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces.” <i>Chemical Physics</i> 482 (2017): 106–12. <a href=\"https://doi.org/10.1016/j.chemphys.2016.08.032\">https://doi.org/10.1016/j.chemphys.2016.08.032</a>.","short":"R. Ellerbrock, U. 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Burkhardt, A. Friedrich, J. Steube, A. Neuba, R. Schepper, P. Müller, U. Flörke, M. Huber, S. Lochbrunner, M. Bauer, Inorganic Chemistry (2017) 360–373.","ieee":"P. Zimmer <i>et al.</i>, “The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study,” <i>Inorganic Chemistry</i>, pp. 360–373, 2017, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.7b02624\">10.1021/acs.inorgchem.7b02624</a>.","apa":"Zimmer, P., Burkhardt, L., Friedrich, A., Steube, J., Neuba, A., Schepper, R., Müller, P., Flörke, U., Huber, M., Lochbrunner, S., &#38; Bauer, M. (2017). The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study. <i>Inorganic Chemistry</i>, 360–373. <a href=\"https://doi.org/10.1021/acs.inorgchem.7b02624\">https://doi.org/10.1021/acs.inorgchem.7b02624</a>"},"publication":"Inorganic Chemistry","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"has_accepted_license":"1","status":"public","ddc":["000"],"user_id":"15278","volume":10,"page":"24:1-24:23","publisher":"Association for Computing Machinery (ACM)","_id":"18","quality_controlled":"1","project":[{"name":"SFB 901","_id":"1","grant_number":"160364472"},{"_id":"4","name":"SFB 901 - Project Area C"},{"grant_number":"160364472","_id":"14","name":"SFB 901 - Subproject C2"},{"_id":"34","grant_number":"610996","name":"Self-Adaptive Virtualisation-Aware High-Performance/Low-Energy Heterogeneous System Architectures"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"file_date_updated":"2018-11-02T16:04:14Z","citation":{"ama":"Riebler H, Lass M, Mittendorf R, Löcke T, Plessl C. Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs. <i>ACM Transactions on Reconfigurable Technology and Systems (TRETS)</i>. 2017;10(3):24:1-24:23. doi:<a href=\"https://doi.org/10.1145/3053687\">10.1145/3053687</a>","bibtex":"@article{Riebler_Lass_Mittendorf_Löcke_Plessl_2017, title={Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs}, volume={10}, DOI={<a href=\"https://doi.org/10.1145/3053687\">10.1145/3053687</a>}, number={3}, journal={ACM Transactions on Reconfigurable Technology and Systems (TRETS)}, publisher={Association for Computing Machinery (ACM)}, author={Riebler, Heinrich and Lass, Michael and Mittendorf, Robert and Löcke, Thomas and Plessl, Christian}, year={2017}, pages={24:1-24:23} }","mla":"Riebler, Heinrich, et al. “Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs.” <i>ACM Transactions on Reconfigurable Technology and Systems (TRETS)</i>, vol. 10, no. 3, Association for Computing Machinery (ACM), 2017, p. 24:1-24:23, doi:<a href=\"https://doi.org/10.1145/3053687\">10.1145/3053687</a>.","chicago":"Riebler, Heinrich, Michael Lass, Robert Mittendorf, Thomas Löcke, and Christian Plessl. “Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs.” <i>ACM Transactions on Reconfigurable Technology and Systems (TRETS)</i> 10, no. 3 (2017): 24:1-24:23. <a href=\"https://doi.org/10.1145/3053687\">https://doi.org/10.1145/3053687</a>.","short":"H. Riebler, M. Lass, R. Mittendorf, T. Löcke, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems (TRETS) 10 (2017) 24:1-24:23.","apa":"Riebler, H., Lass, M., Mittendorf, R., Löcke, T., &#38; Plessl, C. (2017). Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs. <i>ACM Transactions on Reconfigurable Technology and Systems (TRETS)</i>, <i>10</i>(3), 24:1-24:23. <a href=\"https://doi.org/10.1145/3053687\">https://doi.org/10.1145/3053687</a>","ieee":"H. Riebler, M. Lass, R. Mittendorf, T. Löcke, and C. Plessl, “Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs,” <i>ACM Transactions on Reconfigurable Technology and Systems (TRETS)</i>, vol. 10, no. 3, p. 24:1-24:23, 2017, doi: <a href=\"https://doi.org/10.1145/3053687\">10.1145/3053687</a>."},"date_updated":"2023-09-26T13:23:58Z","publication_status":"published","intvolume":"        10","year":"2017","title":"Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs","author":[{"full_name":"Riebler, Heinrich","first_name":"Heinrich","last_name":"Riebler","id":"8961"},{"id":"24135","last_name":"Lass","first_name":"Michael","orcid":"0000-0002-5708-7632","full_name":"Lass, Michael"},{"full_name":"Mittendorf, Robert","last_name":"Mittendorf","first_name":"Robert"},{"first_name":"Thomas","last_name":"Löcke","full_name":"Löcke, Thomas"},{"id":"16153","orcid":"0000-0001-5728-9982","first_name":"Christian","last_name":"Plessl","full_name":"Plessl, Christian"}],"publication_identifier":{"issn":["1936-7406"]},"doi":"10.1145/3053687","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"Branch and bound (B&B) algorithms structure the search space as a tree and eliminate infeasible solutions early by pruning subtrees that cannot lead to a valid or optimal solution. Custom hardware designs significantly accelerate the execution of these algorithms. In this article, we demonstrate a high-performance B&B implementation on FPGAs. First, we identify general elements of B&B algorithms and describe their implementation as a finite state machine. Then, we introduce workers that autonomously cooperate using work stealing to allow parallel execution and full utilization of the target FPGA. Finally, we explore advantages of instance-specific designs that target a specific problem instance to improve performance.\r\n\r\nWe evaluate our concepts by applying them to a branch and bound problem, the reconstruction of corrupted AES keys obtained from cold-boot attacks. The evaluation shows that our work stealing approach is scalable with the available resources and provides speedups proportional to the number of workers. Instance-specific designs allow us to achieve an overall speedup of 47 × compared to the fastest implementation of AES key reconstruction so far. Finally, we demonstrate how instance-specific designs can be generated just-in-time such that the provided speedups outweigh the additional time required for design synthesis."}],"publication":"ACM Transactions on Reconfigurable Technology and Systems (TRETS)","issue":"3","type":"journal_article","keyword":["coldboot"],"department":[{"_id":"27"},{"_id":"518"}],"file":[{"creator":"ups","date_created":"2018-11-02T16:04:14Z","file_name":"a24-riebler.pdf","file_size":2131617,"access_level":"closed","relation":"main_file","date_updated":"2018-11-02T16:04:14Z","file_id":"5322","success":1,"content_type":"application/pdf"}],"date_created":"2017-07-25T14:17:32Z"}]