[{"date_created":"2020-02-20T13:33:08Z","type":"journal_article","department":[{"_id":"9"},{"_id":"321"},{"_id":"149"}],"publication":"Thin-Walled Structures","citation":{"apa":"Reuter, C., &#38; Tröster, T. (2017). Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact. <i>Thin-Walled Structures</i>, <i>117</i>, 1–9. <a href=\"https://doi.org/10.1016/j.tws.2017.03.034\">https://doi.org/10.1016/j.tws.2017.03.034</a>","ieee":"C. Reuter and T. Tröster, “Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact,” <i>Thin-Walled Structures</i>, vol. 117, pp. 1–9, 2017.","chicago":"Reuter, Corin, and Thomas Tröster. “Crashworthiness and Numerical Simulation of Hybrid Aluminium-CFRP Tubes under Axial Impact.” <i>Thin-Walled Structures</i> 117 (2017): 1–9. <a href=\"https://doi.org/10.1016/j.tws.2017.03.034\">https://doi.org/10.1016/j.tws.2017.03.034</a>.","short":"C. Reuter, T. Tröster, Thin-Walled Structures 117 (2017) 1–9.","mla":"Reuter, Corin, and Thomas Tröster. “Crashworthiness and Numerical Simulation of Hybrid Aluminium-CFRP Tubes under Axial Impact.” <i>Thin-Walled Structures</i>, vol. 117, 2017, pp. 1–9, doi:<a href=\"https://doi.org/10.1016/j.tws.2017.03.034\">10.1016/j.tws.2017.03.034</a>.","ama":"Reuter C, Tröster T. Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact. <i>Thin-Walled Structures</i>. 2017;117:1-9. doi:<a href=\"https://doi.org/10.1016/j.tws.2017.03.034\">10.1016/j.tws.2017.03.034</a>","bibtex":"@article{Reuter_Tröster_2017, title={Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact}, volume={117}, DOI={<a href=\"https://doi.org/10.1016/j.tws.2017.03.034\">10.1016/j.tws.2017.03.034</a>}, journal={Thin-Walled Structures}, author={Reuter, Corin and Tröster, Thomas}, year={2017}, pages={1–9} }"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"page":"1-9","_id":"15942","language":[{"iso":"eng"}],"user_id":"72008","doi":"10.1016/j.tws.2017.03.034","volume":117,"title":"Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact","status":"public","year":"2017","publication_identifier":{"issn":["0263-8231"]},"author":[{"full_name":"Reuter, Corin","last_name":"Reuter","first_name":"Corin"},{"id":"553","full_name":"Tröster, Thomas","first_name":"Thomas","last_name":"Tröster"}],"publication_status":"published","date_updated":"2022-01-06T06:52:41Z","intvolume":"       117"},{"publication":"Thin-Walled Structures","citation":{"apa":"Striewe, J. A., Reuter, C., Sauerland, K.-H., &#38; Tröster, T. (2017). Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites. <i>Thin-Walled Structures</i>, 501–508. <a href=\"https://doi.org/10.1016/j.tws.2017.11.011\">https://doi.org/10.1016/j.tws.2017.11.011</a>","ieee":"J. A. Striewe, C. Reuter, K.-H. Sauerland, and T. Tröster, “Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites,” <i>Thin-Walled Structures</i>, pp. 501–508, 2017.","short":"J.A. Striewe, C. Reuter, K.-H. Sauerland, T. Tröster, Thin-Walled Structures (2017) 501–508.","chicago":"Striewe, Jan André, Corin Reuter, Kim-Henning Sauerland, and Thomas Tröster. “Manufacturing and Crashworthiness of Fabric-Reinforced Thermoplastic Composites.” <i>Thin-Walled Structures</i>, 2017, 501–8. <a href=\"https://doi.org/10.1016/j.tws.2017.11.011\">https://doi.org/10.1016/j.tws.2017.11.011</a>.","mla":"Striewe, Jan André, et al. “Manufacturing and Crashworthiness of Fabric-Reinforced Thermoplastic Composites.” <i>Thin-Walled Structures</i>, 2017, pp. 501–08, doi:<a href=\"https://doi.org/10.1016/j.tws.2017.11.011\">10.1016/j.tws.2017.11.011</a>.","ama":"Striewe JA, Reuter C, Sauerland K-H, Tröster T. Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites. <i>Thin-Walled Structures</i>. 2017:501-508. doi:<a href=\"https://doi.org/10.1016/j.tws.2017.11.011\">10.1016/j.tws.2017.11.011</a>","bibtex":"@article{Striewe_Reuter_Sauerland_Tröster_2017, title={Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites}, DOI={<a href=\"https://doi.org/10.1016/j.tws.2017.11.011\">10.1016/j.tws.2017.11.011</a>}, journal={Thin-Walled Structures}, author={Striewe, Jan André and Reuter, Corin and Sauerland, Kim-Henning and Tröster, Thomas}, year={2017}, pages={501–508} }"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2020-02-20T14:00:29Z","type":"journal_article","department":[{"_id":"9"},{"_id":"321"},{"_id":"149"}],"title":"Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites","status":"public","year":"2017","publication_identifier":{"issn":["0263-8231"]},"author":[{"id":"29413","first_name":"Jan André","last_name":"Striewe","full_name":"Striewe, Jan André"},{"full_name":"Reuter, Corin","last_name":"Reuter","first_name":"Corin"},{"full_name":"Sauerland, Kim-Henning","last_name":"Sauerland","first_name":"Kim-Henning"},{"id":"553","last_name":"Tröster","first_name":"Thomas","full_name":"Tröster, Thomas"}],"publication_status":"published","date_updated":"2022-01-06T06:52:41Z","page":"501-508","language":[{"iso":"eng"}],"_id":"15944","user_id":"29413","doi":"10.1016/j.tws.2017.11.011"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"supervisor":[{"last_name":"Bauer","first_name":"Matthias","full_name":"Bauer, Matthias","id":"47241"}],"citation":{"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>.","short":"K. Stührenberg, Phenanthroline-Basierte Kupferkomplexe Für Wasserspaltungsanwendungen, 2017.","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>."},"type":"dissertation","department":[{"_id":"35"},{"_id":"306"}],"date_created":"2020-03-23T13:11:06Z","date_updated":"2022-01-06T06:52:49Z","year":"2017","title":"Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen","status":"public","author":[{"full_name":"Stührenberg, Kai","first_name":"Kai","last_name":"Stührenberg"}],"doi":"10.17619/UNIPB/1-253","user_id":"54038","main_file_link":[{"url":"http://digital.ub.uni-paderborn.de/hs/content/titleinfo/2688564"}],"language":[{"iso":"eng"}],"_id":"16332"},{"publication_identifier":{"isbn":["978-3-319-68496-3"]},"author":[{"full_name":"Müller, Daniel","first_name":"Daniel","last_name":"Müller"},{"full_name":"Guericke, Stefan","first_name":"Stefan","last_name":"Guericke"},{"full_name":"Tierney, Kevin","first_name":"Kevin","last_name":"Tierney"}],"year":"2017","title":"Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem","status":"public","date_updated":"2022-01-06T06:51:29Z","language":[{"iso":"eng"}],"_id":"13156","publisher":"Springer International Publishing","page":"306-320","editor":[{"full_name":"Bektac, Tolga","first_name":"Tolga","last_name":"Bektac"},{"full_name":"Coniglio, Stefano","first_name":"Stefano","last_name":"Coniglio"},{"full_name":"Martinez-Sykora, Antonio","last_name":"Martinez-Sykora","first_name":"Antonio"},{"last_name":"Voß","first_name":"Stefan","full_name":"Voß, Stefan"}],"user_id":"40778","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.","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.","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.","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} }","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.","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.","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."},"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."}],"place":"Cham","date_created":"2019-09-09T09:30:08Z","type":"conference"},{"date_updated":"2022-01-06T06:51:29Z","title":"Reactive Dialectic Search Portfolios for MaxSAT.","year":"2017","status":"public","author":[{"first_name":"Carlos","last_name":"Ansotegui","full_name":"Ansotegui, Carlos"},{"full_name":"Pon, Josep","last_name":"Pon","first_name":"Josep"},{"first_name":"Meinolf","last_name":"Sellmann","full_name":"Sellmann, Meinolf"},{"full_name":"Tierney, Kevin","last_name":"Tierney","first_name":"Kevin"}],"user_id":"40778","page":"765-772","language":[{"iso":"eng"}],"_id":"13157","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"AAAI","citation":{"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} }","mla":"Ansotegui, Carlos, et al. “Reactive Dialectic Search Portfolios for MaxSAT.” <i>AAAI</i>, 2017, pp. 765–72.","short":"C. Ansotegui, J. Pon, M. Sellmann, K. Tierney, in: AAAI, 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.","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."},"type":"conference","date_created":"2019-09-09T09:34:14Z"},{"intvolume":"        40","date_updated":"2022-01-06T06:51:30Z","author":[{"first_name":"Alexander","last_name":"Oppermann","full_name":"Oppermann, Alexander"},{"first_name":"Larissa","last_name":"Laurini","full_name":"Laurini, Larissa"},{"first_name":"Fabian","last_name":"Etscheidt","full_name":"Etscheidt, Fabian"},{"full_name":"Hollmann, Katharina","first_name":"Katharina","last_name":"Hollmann"},{"last_name":"Strassl","first_name":"Florian","full_name":"Strassl, Florian"},{"full_name":"Hoffmann, Alexander","first_name":"Alexander","last_name":"Hoffmann"},{"full_name":"Schurr, Daniela","last_name":"Schurr","first_name":"Daniela"},{"first_name":"Roland","last_name":"Dittmeyer","full_name":"Dittmeyer, Roland"},{"first_name":"Günter","last_name":"Rinke","full_name":"Rinke, Günter"},{"full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis","first_name":"Sonja"}],"title":"Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer","year":"2017","status":"public","volume":40,"user_id":"40778","doi":"10.1002/ceat.201600691","language":[{"iso":"eng"}],"_id":"13187","page":"1475-1483","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"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"}],"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>.","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>","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} }","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>","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.","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.","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>."},"issue":"8","publication":"Chemical Engineering \\& Technology","type":"journal_article","keyword":["Copper guanidine complexes","Nitric oxide","SuperFocus mixer"],"date_created":"2019-09-11T11:01:30Z"},{"intvolume":"        95","date_updated":"2022-01-06T06:51:30Z","author":[{"full_name":"Gruzberg, Ilya","last_name":"Gruzberg","first_name":"Ilya"},{"full_name":"Klümper, Andreas","last_name":"Klümper","first_name":"Andreas"},{"last_name":"Nuding","first_name":"Win","full_name":"Nuding, Win"},{"last_name":"Sedrakyan","first_name":"Ara","full_name":"Sedrakyan, Ara"}],"year":"2017","status":"public","title":"Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions","volume":95,"user_id":"40778","doi":"10.1103/PhysRevB.95.125414","_id":"13200","language":[{"iso":"eng"}],"publisher":"American Physical Society","page":"125414","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","type":"journal_article","date_created":"2019-09-13T07:06:52Z"},{"doi":"10.1002/jcc.24878","language":[{"iso":"eng"}],"date_updated":"2022-01-06T06:51:31Z","publication_status":"published","intvolume":"        38","title":"Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition","year":"2017","author":[{"full_name":"Lücke, Andreas","last_name":"Lücke","first_name":"Andreas"},{"first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe"},{"first_name":"Thomas D.","last_name":"Kühne","full_name":"Kühne, Thomas D."},{"first_name":"Wolf G.","last_name":"Schmidt","full_name":"Schmidt, Wolf G."}],"type":"journal_article","keyword":["density functional theory","bonding","crystal orbital Hamilton population","indium nanowires","phase transition"],"department":[{"_id":"304"}],"date_created":"2019-09-16T12:39:15Z","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"}],"issue":"26","publication":"Journal of Computational Chemistry","user_id":"71692","volume":38,"page":"2276-2282","_id":"13238","status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"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>","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>","short":"A. Lücke, U. Gerstmann, T.D. Kühne, W.G. Schmidt, Journal of Computational Chemistry 38 (2017) 2276–2282.","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>."}},{"type":"journal_article","department":[{"_id":"304"}],"date_created":"2019-09-16T12:51:16Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"The Journal of Chemical Physics","issue":"8","citation":{"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>.","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} }","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>","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.","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>","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>.","short":"Sam  Azadi, T.D. Kühne, The Journal of Chemical Physics 146 (2017) 084503."},"user_id":"71692","doi":"10.1063/1.4976836","volume":146,"page":"084503","language":[{"iso":"eng"}],"_id":"13239","publication_status":"published","date_updated":"2022-01-06T06:51:31Z","intvolume":"       146","title":"High-pressure hydrogen sulfide by diffusion quantum Monte Carlo","status":"public","year":"2017","author":[{"full_name":"Azadi,  Sam ","first_name":" Sam ","last_name":"Azadi"},{"full_name":"Kühne, Thomas D.","last_name":"Kühne","first_name":"Thomas D."}]},{"type":"journal_article","date_created":"2019-09-17T06:36:49Z","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":{"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.","short":"R. Ellerbrock, U. Manthe, Chemical Physics 482 (2017) 106–112.","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>.","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} }"},"user_id":"40778","doi":"https://doi.org/10.1016/j.chemphys.2016.08.032","volume":482,"page":"106 - 112","language":[{"iso":"eng"}],"_id":"13242","date_updated":"2022-01-06T06:51:31Z","intvolume":"       482","year":"2017","status":"public","title":"H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces","publication_identifier":{"issn":["0301-0104"]},"author":[{"last_name":"Ellerbrock","first_name":"Roman","full_name":"Ellerbrock, Roman"},{"full_name":"Manthe, Uwe","last_name":"Manthe","first_name":"Uwe"}]},{"date_created":"2019-09-18T08:50:35Z","type":"journal_article","publication":"Computer Physics Communications","citation":{"chicago":"Rutkai, Gábor, Andreas Köster, Gabriela Guevara-Carrion, Tatjana Janzen, Michael Schappals, Colin W. Glass, Martin Bernreuther, et al. “Ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0.” <i>Computer Physics Communications</i> 221 (2017): 343–51. <a href=\"https://doi.org/10.1016/j.cpc.2017.07.025\">https://doi.org/10.1016/j.cpc.2017.07.025</a>.","short":"G. Rutkai, A. Köster, G. Guevara-Carrion, T. Janzen, M. Schappals, C.W. Glass, M. Bernreuther, A. Wafai, S. Stephan, M. Kohns, S. Reiser, S. Deublein, M. Horsch, H. Hasse, J. Vrabec, Computer Physics Communications 221 (2017) 343–351.","apa":"Rutkai, G., Köster, A., Guevara-Carrion, G., Janzen, T., Schappals, M., Glass, C. W., … Vrabec, J. (2017). ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0. <i>Computer Physics Communications</i>, <i>221</i>, 343–351. <a href=\"https://doi.org/10.1016/j.cpc.2017.07.025\">https://doi.org/10.1016/j.cpc.2017.07.025</a>","ieee":"G. Rutkai <i>et al.</i>, “ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0,” <i>Computer Physics Communications</i>, vol. 221, pp. 343–351, 2017.","ama":"Rutkai G, Köster A, Guevara-Carrion G, et al. ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0. <i>Computer Physics Communications</i>. 2017;221:343-351. doi:<a href=\"https://doi.org/10.1016/j.cpc.2017.07.025\">10.1016/j.cpc.2017.07.025</a>","bibtex":"@article{Rutkai_Köster_Guevara-Carrion_Janzen_Schappals_Glass_Bernreuther_Wafai_Stephan_Kohns_et al._2017, title={ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0}, volume={221}, DOI={<a href=\"https://doi.org/10.1016/j.cpc.2017.07.025\">10.1016/j.cpc.2017.07.025</a>}, journal={Computer Physics Communications}, author={Rutkai, Gábor and Köster, Andreas and Guevara-Carrion, Gabriela and Janzen, Tatjana and Schappals, Michael and Glass, Colin W. and Bernreuther, Martin and Wafai, Amer and Stephan, Simon and Kohns, Maximilian and et al.}, year={2017}, pages={343–351} }","mla":"Rutkai, Gábor, et al. “Ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0.” <i>Computer Physics Communications</i>, vol. 221, 2017, pp. 343–51, doi:<a href=\"https://doi.org/10.1016/j.cpc.2017.07.025\">10.1016/j.cpc.2017.07.025</a>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"page":"343-351","_id":"13276","language":[{"iso":"eng"}],"doi":"10.1016/j.cpc.2017.07.025","user_id":"40778","volume":221,"status":"public","year":"2017","title":"ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0","publication_identifier":{"issn":["0010-4655"]},"author":[{"full_name":"Rutkai, Gábor","first_name":"Gábor","last_name":"Rutkai"},{"full_name":"Köster, Andreas","first_name":"Andreas","last_name":"Köster"},{"first_name":"Gabriela","last_name":"Guevara-Carrion","full_name":"Guevara-Carrion, Gabriela"},{"last_name":"Janzen","first_name":"Tatjana","full_name":"Janzen, Tatjana"},{"full_name":"Schappals, Michael","last_name":"Schappals","first_name":"Michael"},{"first_name":"Colin W.","last_name":"Glass","full_name":"Glass, Colin W."},{"first_name":"Martin","last_name":"Bernreuther","full_name":"Bernreuther, Martin"},{"full_name":"Wafai, Amer","last_name":"Wafai","first_name":"Amer"},{"full_name":"Stephan, Simon","last_name":"Stephan","first_name":"Simon"},{"last_name":"Kohns","first_name":"Maximilian","full_name":"Kohns, Maximilian"},{"last_name":"Reiser","first_name":"Steffen","full_name":"Reiser, Steffen"},{"full_name":"Deublein, Stephan","first_name":"Stephan","last_name":"Deublein"},{"first_name":"Martin","last_name":"Horsch","full_name":"Horsch, Martin"},{"full_name":"Hasse, Hans","first_name":"Hans","last_name":"Hasse"},{"first_name":"Jadran","last_name":"Vrabec","full_name":"Vrabec, Jadran"}],"date_updated":"2022-01-06T06:51:31Z","publication_status":"published","intvolume":"       221"},{"author":[{"first_name":"Andreas","last_name":"Köster","full_name":"Köster, Andreas"},{"last_name":"Mausbach","first_name":"Peter","full_name":"Mausbach, Peter"},{"full_name":"Vrabec, Jadran","last_name":"Vrabec","first_name":"Jadran"}],"year":"2017","title":"Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential","status":"public","intvolume":"       147","date_updated":"2022-01-06T06:51:31Z","language":[{"iso":"eng"}],"_id":"13277","page":"144502","volume":147,"user_id":"40778","doi":"10.1063/1.4990667","citation":{"bibtex":"@article{Köster_Mausbach_Vrabec_2017, title={Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential}, volume={147}, DOI={<a href=\"https://doi.org/10.1063/1.4990667\">10.1063/1.4990667</a>}, number={14}, journal={The Journal of Chemical Physics}, author={Köster, Andreas and Mausbach, Peter and Vrabec, Jadran}, year={2017}, pages={144502} }","ama":"Köster A, Mausbach P, Vrabec J. Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential. <i>The Journal of Chemical Physics</i>. 2017;147(14):144502. doi:<a href=\"https://doi.org/10.1063/1.4990667\">10.1063/1.4990667</a>","short":"A. Köster, P. Mausbach, J. Vrabec, The Journal of Chemical Physics 147 (2017) 144502.","chicago":"Köster, Andreas, Peter Mausbach, and Jadran Vrabec. “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential.” <i>The Journal of Chemical Physics</i> 147, no. 14 (2017): 144502. <a href=\"https://doi.org/10.1063/1.4990667\">https://doi.org/10.1063/1.4990667</a>.","ieee":"A. Köster, P. Mausbach, and J. Vrabec, “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential,” <i>The Journal of Chemical Physics</i>, vol. 147, no. 14, p. 144502, 2017.","mla":"Köster, Andreas, et al. “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential.” <i>The Journal of Chemical Physics</i>, vol. 147, no. 14, 2017, p. 144502, doi:<a href=\"https://doi.org/10.1063/1.4990667\">10.1063/1.4990667</a>.","apa":"Köster, A., Mausbach, P., &#38; Vrabec, J. (2017). Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential. <i>The Journal of Chemical Physics</i>, <i>147</i>(14), 144502. <a href=\"https://doi.org/10.1063/1.4990667\">https://doi.org/10.1063/1.4990667</a>"},"issue":"14","publication":"The Journal of Chemical Physics","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-18T08:53:00Z","type":"journal_article"},{"author":[{"last_name":"Fingerhut","first_name":"Robin","full_name":"Fingerhut, Robin"},{"full_name":"Chen, Wei-Lin","last_name":"Chen","first_name":"Wei-Lin"},{"last_name":"Schedemann","first_name":"Andre","full_name":"Schedemann, Andre"},{"full_name":"Cordes, Wilfried","first_name":"Wilfried","last_name":"Cordes"},{"full_name":"Rarey, Jürgen","last_name":"Rarey","first_name":"Jürgen"},{"last_name":"Hsieh","first_name":"Chieh-Ming","full_name":"Hsieh, Chieh-Ming"},{"full_name":"Vrabec, Jadran","first_name":"Jadran","last_name":"Vrabec"},{"full_name":"Lin, Shiang-Tai","last_name":"Lin","first_name":"Shiang-Tai"}],"year":"2017","status":"public","title":"Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria","intvolume":"        56","date_updated":"2022-01-06T06:51:31Z","language":[{"iso":"eng"}],"_id":"13278","page":"9868-9884","volume":56,"user_id":"40778","doi":"10.1021/acs.iecr.7b01360","citation":{"mla":"Fingerhut, Robin, et al. “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria.” <i>Industrial &#38; Engineering Chemistry Research</i>, vol. 56, no. 35, 2017, pp. 9868–84, doi:<a href=\"https://doi.org/10.1021/acs.iecr.7b01360\">10.1021/acs.iecr.7b01360</a>.","ama":"Fingerhut R, Chen W-L, Schedemann A, et al. Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria. <i>Industrial &#38; Engineering Chemistry Research</i>. 2017;56(35):9868-9884. doi:<a href=\"https://doi.org/10.1021/acs.iecr.7b01360\">10.1021/acs.iecr.7b01360</a>","bibtex":"@article{Fingerhut_Chen_Schedemann_Cordes_Rarey_Hsieh_Vrabec_Lin_2017, title={Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria}, volume={56}, DOI={<a href=\"https://doi.org/10.1021/acs.iecr.7b01360\">10.1021/acs.iecr.7b01360</a>}, number={35}, journal={Industrial &#38; Engineering Chemistry Research}, author={Fingerhut, Robin and Chen, Wei-Lin and Schedemann, Andre and Cordes, Wilfried and Rarey, Jürgen and Hsieh, Chieh-Ming and Vrabec, Jadran and Lin, Shiang-Tai}, year={2017}, pages={9868–9884} }","apa":"Fingerhut, R., Chen, W.-L., Schedemann, A., Cordes, W., Rarey, J., Hsieh, C.-M., … Lin, S.-T. (2017). Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria. <i>Industrial &#38; Engineering Chemistry Research</i>, <i>56</i>(35), 9868–9884. <a href=\"https://doi.org/10.1021/acs.iecr.7b01360\">https://doi.org/10.1021/acs.iecr.7b01360</a>","ieee":"R. Fingerhut <i>et al.</i>, “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria,” <i>Industrial &#38; Engineering Chemistry Research</i>, vol. 56, no. 35, pp. 9868–9884, 2017.","short":"R. Fingerhut, W.-L. Chen, A. Schedemann, W. Cordes, J. Rarey, C.-M. Hsieh, J. Vrabec, S.-T. Lin, Industrial &#38; Engineering Chemistry Research 56 (2017) 9868–9884.","chicago":"Fingerhut, Robin, Wei-Lin Chen, Andre Schedemann, Wilfried Cordes, Jürgen Rarey, Chieh-Ming Hsieh, Jadran Vrabec, and Shiang-Tai Lin. “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria.” <i>Industrial &#38; Engineering Chemistry Research</i> 56, no. 35 (2017): 9868–84. <a href=\"https://doi.org/10.1021/acs.iecr.7b01360\">https://doi.org/10.1021/acs.iecr.7b01360</a>."},"issue":"35","publication":"Industrial & Engineering Chemistry Research","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-18T08:55:15Z","type":"journal_article"},{"publication":"Journal of Chemical Theory and Computation","issue":"9","citation":{"apa":"Schappals, M., Mecklenfeld, A., Kröger, L., Botan, V., Köster, A., Stephan, S., … Hasse, H. (2017). Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. <i>Journal of Chemical Theory and Computation</i>, <i>13</i>(9), 4270–4280. <a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">https://doi.org/10.1021/acs.jctc.7b00489</a>","ieee":"M. Schappals <i>et al.</i>, “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom,” <i>Journal of Chemical Theory and Computation</i>, vol. 13, no. 9, pp. 4270–4280, 2017.","chicago":"Schappals, Michael, Andreas Mecklenfeld, Leif Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J. García, et al. “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.” <i>Journal of Chemical Theory and Computation</i> 13, no. 9 (2017): 4270–80. <a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">https://doi.org/10.1021/acs.jctc.7b00489</a>.","short":"M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E.J. García, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, C.W. Glass, J. Lenhard, J. Vrabec, H. Hasse, Journal of Chemical Theory and Computation 13 (2017) 4270–4280.","mla":"Schappals, Michael, et al. “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.” <i>Journal of Chemical Theory and Computation</i>, vol. 13, no. 9, 2017, pp. 4270–80, doi:<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>.","ama":"Schappals M, Mecklenfeld A, Kröger L, et al. Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. <i>Journal of Chemical Theory and Computation</i>. 2017;13(9):4270-4280. doi:<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>","bibtex":"@article{Schappals_Mecklenfeld_Kröger_Botan_Köster_Stephan_García_Rutkai_Raabe_Klein_et al._2017, title={Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom}, volume={13}, DOI={<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>}, number={9}, journal={Journal of Chemical Theory and Computation}, author={Schappals, Michael and Mecklenfeld, Andreas and Kröger, Leif and Botan, Vitalie and Köster, Andreas and Stephan, Simon and García, Edder J. and Rutkai, Gabor and Raabe, Gabriele and Klein, Peter and et al.}, year={2017}, pages={4270–4280} }"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-18T08:56:52Z","type":"journal_article","title":"Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom","year":"2017","status":"public","author":[{"full_name":"Schappals, Michael","first_name":"Michael","last_name":"Schappals"},{"first_name":"Andreas","last_name":"Mecklenfeld","full_name":"Mecklenfeld, Andreas"},{"full_name":"Kröger, Leif","first_name":"Leif","last_name":"Kröger"},{"full_name":"Botan, Vitalie","first_name":"Vitalie","last_name":"Botan"},{"first_name":"Andreas","last_name":"Köster","full_name":"Köster, Andreas"},{"full_name":"Stephan, Simon","first_name":"Simon","last_name":"Stephan"},{"first_name":"Edder J.","last_name":"García","full_name":"García, Edder J."},{"first_name":"Gabor","last_name":"Rutkai","full_name":"Rutkai, Gabor"},{"first_name":"Gabriele","last_name":"Raabe","full_name":"Raabe, Gabriele"},{"last_name":"Klein","first_name":"Peter","full_name":"Klein, Peter"},{"full_name":"Leonhard, Kai","first_name":"Kai","last_name":"Leonhard"},{"full_name":"Glass, Colin W.","last_name":"Glass","first_name":"Colin W."},{"first_name":"Johannes","last_name":"Lenhard","full_name":"Lenhard, Johannes"},{"full_name":"Vrabec, Jadran","last_name":"Vrabec","first_name":"Jadran"},{"first_name":"Hans","last_name":"Hasse","full_name":"Hasse, Hans"}],"date_updated":"2022-01-06T06:51:31Z","intvolume":"        13","page":"4270-4280","language":[{"iso":"eng"}],"_id":"13279","doi":"10.1021/acs.jctc.7b00489","user_id":"40778","volume":13},{"citation":{"mla":"Muñoz-Muñoz, Y. Mauricio, et al. “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms.” <i>The Journal of Physical Chemistry B</i>, vol. 121, no. 21, 2017, pp. 5374–84, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.7b02494\">10.1021/acs.jpcb.7b02494</a>.","ama":"Muñoz-Muñoz YM, Hsieh C-M, Vrabec J. Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms. <i>The Journal of Physical Chemistry B</i>. 2017;121(21):5374-5384. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.7b02494\">10.1021/acs.jpcb.7b02494</a>","bibtex":"@article{Muñoz-Muñoz_Hsieh_Vrabec_2017, title={Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms}, volume={121}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcb.7b02494\">10.1021/acs.jpcb.7b02494</a>}, number={21}, journal={The Journal of Physical Chemistry B}, author={Muñoz-Muñoz, Y. Mauricio and Hsieh, Chieh-Ming and Vrabec, Jadran}, year={2017}, pages={5374–5384} }","apa":"Muñoz-Muñoz, Y. M., Hsieh, C.-M., &#38; Vrabec, J. (2017). Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms. <i>The Journal of Physical Chemistry B</i>, <i>121</i>(21), 5374–5384. <a href=\"https://doi.org/10.1021/acs.jpcb.7b02494\">https://doi.org/10.1021/acs.jpcb.7b02494</a>","ieee":"Y. M. Muñoz-Muñoz, C.-M. Hsieh, and J. Vrabec, “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms,” <i>The Journal of Physical Chemistry B</i>, vol. 121, no. 21, pp. 5374–5384, 2017.","chicago":"Muñoz-Muñoz, Y. Mauricio, Chieh-Ming Hsieh, and Jadran Vrabec. “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms.” <i>The Journal of Physical Chemistry B</i> 121, no. 21 (2017): 5374–84. <a href=\"https://doi.org/10.1021/acs.jpcb.7b02494\">https://doi.org/10.1021/acs.jpcb.7b02494</a>.","short":"Y.M. Muñoz-Muñoz, C.-M. Hsieh, J. Vrabec, The Journal of Physical Chemistry B 121 (2017) 5374–5384."},"publication":"The Journal of Physical Chemistry B","issue":"21","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-18T08:58:15Z","type":"journal_article","author":[{"full_name":"Muñoz-Muñoz, Y. Mauricio","last_name":"Muñoz-Muñoz","first_name":"Y. Mauricio"},{"full_name":"Hsieh, Chieh-Ming","first_name":"Chieh-Ming","last_name":"Hsieh"},{"last_name":"Vrabec","first_name":"Jadran","full_name":"Vrabec, Jadran"}],"title":"Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms","status":"public","year":"2017","intvolume":"       121","date_updated":"2022-01-06T06:51:31Z","_id":"13280","language":[{"iso":"eng"}],"page":"5374-5384","volume":121,"user_id":"40778","doi":"10.1021/acs.jpcb.7b02494"},{"intvolume":"       115","date_updated":"2022-01-06T06:51:31Z","author":[{"full_name":"Rutkai, Gábor","first_name":"Gábor","last_name":"Rutkai"},{"first_name":"Monika","last_name":"Thol","full_name":"Thol, Monika"},{"last_name":"Span","first_name":"Roland","full_name":"Span, Roland"},{"full_name":"Vrabec, Jadran","first_name":"Jadran","last_name":"Vrabec"}],"year":"2017","title":"How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?","status":"public","volume":115,"doi":"10.1080/00268976.2016.1246760","user_id":"40778","_id":"13281","language":[{"iso":"eng"}],"publisher":"Taylor & Francis","page":"1104-1121","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ama":"Rutkai G, Thol M, Span R, Vrabec J. How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases? <i>Molecular Physics</i>. 2017;115(9-12):1104-1121. doi:<a href=\"https://doi.org/10.1080/00268976.2016.1246760\">10.1080/00268976.2016.1246760</a>","bibtex":"@article{Rutkai_Thol_Span_Vrabec_2017, title={How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?}, volume={115}, DOI={<a href=\"https://doi.org/10.1080/00268976.2016.1246760\">10.1080/00268976.2016.1246760</a>}, number={9–12}, journal={Molecular Physics}, publisher={Taylor &#38; Francis}, author={Rutkai, Gábor and Thol, Monika and Span, Roland and Vrabec, Jadran}, year={2017}, pages={1104–1121} }","mla":"Rutkai, Gábor, et al. “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?” <i>Molecular Physics</i>, vol. 115, no. 9–12, Taylor &#38; Francis, 2017, pp. 1104–21, doi:<a href=\"https://doi.org/10.1080/00268976.2016.1246760\">10.1080/00268976.2016.1246760</a>.","chicago":"Rutkai, Gábor, Monika Thol, Roland Span, and Jadran Vrabec. “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?” <i>Molecular Physics</i> 115, no. 9–12 (2017): 1104–21. <a href=\"https://doi.org/10.1080/00268976.2016.1246760\">https://doi.org/10.1080/00268976.2016.1246760</a>.","short":"G. Rutkai, M. Thol, R. Span, J. Vrabec, Molecular Physics 115 (2017) 1104–1121.","apa":"Rutkai, G., Thol, M., Span, R., &#38; Vrabec, J. (2017). How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases? <i>Molecular Physics</i>, <i>115</i>(9–12), 1104–1121. <a href=\"https://doi.org/10.1080/00268976.2016.1246760\">https://doi.org/10.1080/00268976.2016.1246760</a>","ieee":"G. Rutkai, M. Thol, R. Span, and J. Vrabec, “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?,” <i>Molecular Physics</i>, vol. 115, no. 9–12, pp. 1104–1121, 2017."},"publication":"Molecular Physics","issue":"9-12","type":"journal_article","date_created":"2019-09-18T09:00:07Z"},{"doi":"10.1103/physrevb.96.085123","user_id":"40778","volume":96,"page":"085123","_id":"13290","language":[{"iso":"eng"}],"publisher":"American Physical Society","date_updated":"2022-01-06T06:51:32Z","publication_status":"published","intvolume":"        96","title":"X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra","year":"2017","status":"public","author":[{"full_name":"Bouldi, N.","first_name":"N.","last_name":"Bouldi"},{"full_name":"Vollmers, N. J.","last_name":"Vollmers","first_name":"N. J."},{"last_name":"Delpy-Laplanche","first_name":"C. G.","full_name":"Delpy-Laplanche, C. G."},{"first_name":"Y.","last_name":"Joly","full_name":"Joly, Y."},{"full_name":"Juhin, A.","first_name":"A.","last_name":"Juhin"},{"last_name":"Sainctavit","first_name":"Ph.","full_name":"Sainctavit, Ph."},{"full_name":"Brouder, Ch.","last_name":"Brouder","first_name":"Ch."},{"last_name":"Calandra","first_name":"M.","full_name":"Calandra, M."},{"last_name":"Paulatto","first_name":"L.","full_name":"Paulatto, L."},{"last_name":"Mauri","first_name":"F.","full_name":"Mauri, F."},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann"}],"type":"journal_article","date_created":"2019-09-19T07:09:38Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"8","publication":"Physical Review B","citation":{"chicago":"Bouldi, N., N. J. Vollmers, C. G. Delpy-Laplanche, Y. Joly, A. Juhin, Ph. Sainctavit, Ch. Brouder, et al. “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra.” <i>Physical Review B</i> 96, no. 8 (2017): 085123. <a href=\"https://doi.org/10.1103/physrevb.96.085123\">https://doi.org/10.1103/physrevb.96.085123</a>.","short":"N. Bouldi, N.J. Vollmers, C.G. Delpy-Laplanche, Y. Joly, A. Juhin, P. Sainctavit, C. Brouder, M. Calandra, L. Paulatto, F. Mauri, U. Gerstmann, Physical Review B 96 (2017) 085123.","apa":"Bouldi, N., Vollmers, N. J., Delpy-Laplanche, C. G., Joly, Y., Juhin, A., Sainctavit, P., … Gerstmann, U. (2017). X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra. <i>Physical Review B</i>, <i>96</i>(8), 085123. <a href=\"https://doi.org/10.1103/physrevb.96.085123\">https://doi.org/10.1103/physrevb.96.085123</a>","ieee":"N. Bouldi <i>et al.</i>, “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra,” <i>Physical Review B</i>, vol. 96, no. 8, p. 085123, 2017.","ama":"Bouldi N, Vollmers NJ, Delpy-Laplanche CG, et al. X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra. <i>Physical Review B</i>. 2017;96(8):085123. doi:<a href=\"https://doi.org/10.1103/physrevb.96.085123\">10.1103/physrevb.96.085123</a>","bibtex":"@article{Bouldi_Vollmers_Delpy-Laplanche_Joly_Juhin_Sainctavit_Brouder_Calandra_Paulatto_Mauri_et al._2017, title={X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra}, volume={96}, DOI={<a href=\"https://doi.org/10.1103/physrevb.96.085123\">10.1103/physrevb.96.085123</a>}, number={8}, journal={Physical Review B}, publisher={American Physical Society}, author={Bouldi, N. and Vollmers, N. J. and Delpy-Laplanche, C. G. and Joly, Y. and Juhin, A. and Sainctavit, Ph. and Brouder, Ch. and Calandra, M. and Paulatto, L. and Mauri, F. and et al.}, year={2017}, pages={085123} }","mla":"Bouldi, N., et al. “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra.” <i>Physical Review B</i>, vol. 96, no. 8, American Physical Society, 2017, p. 085123, doi:<a href=\"https://doi.org/10.1103/physrevb.96.085123\">10.1103/physrevb.96.085123</a>."}},{"doi":"10.1103/physrevb.95.155310","user_id":"16199","language":[{"iso":"eng"}],"_id":"10020","date_updated":"2022-01-06T06:50:24Z","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"author":[{"last_name":"Landmann","first_name":"M.","full_name":"Landmann, M."},{"full_name":"Rauls, E.","first_name":"E.","last_name":"Rauls"},{"last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"title":"Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites","status":"public","year":"2017","department":[{"_id":"15"}],"type":"journal_article","date_created":"2019-05-29T07:40:31Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"citation":{"bibtex":"@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites}, DOI={<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2017} }","ama":"Landmann M, Rauls E, Schmidt WG. Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. <i>Physical Review B</i>. 2017. doi:<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>","mla":"Landmann, M., et al. “Understanding Band Alignments in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” <i>Physical Review B</i>, 2017, doi:<a href=\"https://doi.org/10.1103/physrevb.95.155310\">10.1103/physrevb.95.155310</a>.","short":"M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).","chicago":"Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Understanding Band Alignments in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” <i>Physical Review B</i>, 2017. <a href=\"https://doi.org/10.1103/physrevb.95.155310\">https://doi.org/10.1103/physrevb.95.155310</a>.","ieee":"M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,” <i>Physical Review B</i>, 2017.","apa":"Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2017). Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. <i>Physical Review B</i>. <a href=\"https://doi.org/10.1103/physrevb.95.155310\">https://doi.org/10.1103/physrevb.95.155310</a>"},"publication":"Physical Review B"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ama":"Podzimski R, Duc HT, Meier T. A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors. In: Betz M, Elezzabi AY, eds. <i>Ultrafast Phenomena and Nanophotonics XXI</i>. Vol 10102. SPIE Proceedings. SPIE; 2017. doi:<a href=\"https://doi.org/10.1117/12.2250299\">10.1117/12.2250299</a>","bibtex":"@inproceedings{Podzimski_Duc_Meier_2017, series={SPIE Proceedings}, title={A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors}, volume={10102}, DOI={<a href=\"https://doi.org/10.1117/12.2250299\">10.1117/12.2250299</a>}, number={101020P}, booktitle={Ultrafast Phenomena and Nanophotonics XXI}, publisher={SPIE}, author={Podzimski, Reinold and Duc, Huynh Thanh and Meier, Torsten}, editor={Betz, Markus and Elezzabi, Abdulhakem Y.}, year={2017}, collection={SPIE Proceedings} }","mla":"Podzimski, Reinold, et al. “A Microscopic Approach to Ultrafast near Band Gap Photocurrents in Bulk Semiconductors.” <i>Ultrafast Phenomena and Nanophotonics XXI</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 10102, 101020P, SPIE, 2017, doi:<a href=\"https://doi.org/10.1117/12.2250299\">10.1117/12.2250299</a>.","chicago":"Podzimski, Reinold, Huynh Thanh Duc, and Torsten Meier. “A Microscopic Approach to Ultrafast near Band Gap Photocurrents in Bulk Semiconductors.” In <i>Ultrafast Phenomena and Nanophotonics XXI</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol. 10102. SPIE Proceedings. SPIE, 2017. <a href=\"https://doi.org/10.1117/12.2250299\">https://doi.org/10.1117/12.2250299</a>.","short":"R. Podzimski, H.T. Duc, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXI, SPIE, 2017.","apa":"Podzimski, R., Duc, H. T., &#38; Meier, T. (2017). A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors. In M. Betz &#38; A. Y. Elezzabi (Eds.), <i>Ultrafast Phenomena and Nanophotonics XXI</i> (No. 101020P; Vol. 10102). SPIE. <a href=\"https://doi.org/10.1117/12.2250299\">https://doi.org/10.1117/12.2250299</a>","ieee":"R. Podzimski, H. T. Duc, and T. Meier, “A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors,” in <i>Ultrafast Phenomena and Nanophotonics XXI</i>, 2017, vol. 10102, doi: <a href=\"https://doi.org/10.1117/12.2250299\">10.1117/12.2250299</a>."},"user_id":"49063","volume":10102,"editor":[{"first_name":"Markus","last_name":"Betz","full_name":"Betz, Markus"},{"last_name":"Elezzabi","first_name":"Abdulhakem Y.","full_name":"Elezzabi, Abdulhakem Y."}],"publisher":"SPIE","_id":"13334","status":"public","type":"conference","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"}],"date_created":"2019-09-19T13:06:30Z","publication":"Ultrafast Phenomena and Nanophotonics XXI","doi":"10.1117/12.2250299","article_number":"101020P","series_title":"SPIE Proceedings","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2023-04-16T21:01:30Z","intvolume":"     10102","title":"A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors","year":"2017","author":[{"full_name":"Podzimski, Reinold","first_name":"Reinold","last_name":"Podzimski"},{"full_name":"Duc, Huynh Thanh","first_name":"Huynh Thanh","last_name":"Duc"},{"id":"344","full_name":"Meier, Torsten","first_name":"Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier"}]},{"issue":"1","publication":"Scientific Reports","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"429"}],"date_created":"2019-09-18T14:38:04Z","publication_status":"published","date_updated":"2023-04-16T21:01:03Z","intvolume":"         7","year":"2017","title":"Bloch oscillations sustained by nonlinearity","publication_identifier":{"issn":["2045-2322"]},"author":[{"full_name":"Driben, R.","last_name":"Driben","first_name":"R."},{"first_name":"V. V.","last_name":"Konotop","full_name":"Konotop, V. V."},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"},{"full_name":"Yulin, A. V.","last_name":"Yulin","first_name":"A. V."}],"doi":"10.1038/s41598-017-03400-w","article_number":"3194","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area C","_id":"56"},{"_id":"72","name":"TRR 142 - Subproject C2"}],"citation":{"apa":"Driben, R., Konotop, V. V., Meier, T., &#38; Yulin, A. V. (2017). Bloch oscillations sustained by nonlinearity. <i>Scientific Reports</i>, <i>7</i>(1), Article 3194. <a href=\"https://doi.org/10.1038/s41598-017-03400-w\">https://doi.org/10.1038/s41598-017-03400-w</a>","ieee":"R. Driben, V. V. Konotop, T. Meier, and A. V. Yulin, “Bloch oscillations sustained by nonlinearity,” <i>Scientific Reports</i>, vol. 7, no. 1, Art. no. 3194, 2017, doi: <a href=\"https://doi.org/10.1038/s41598-017-03400-w\">10.1038/s41598-017-03400-w</a>.","chicago":"Driben, R., V. V. Konotop, Torsten Meier, and A. V. Yulin. “Bloch Oscillations Sustained by Nonlinearity.” <i>Scientific Reports</i> 7, no. 1 (2017). <a href=\"https://doi.org/10.1038/s41598-017-03400-w\">https://doi.org/10.1038/s41598-017-03400-w</a>.","short":"R. Driben, V.V. Konotop, T. Meier, A.V. Yulin, Scientific Reports 7 (2017).","mla":"Driben, R., et al. “Bloch Oscillations Sustained by Nonlinearity.” <i>Scientific Reports</i>, vol. 7, no. 1, 3194, 2017, doi:<a href=\"https://doi.org/10.1038/s41598-017-03400-w\">10.1038/s41598-017-03400-w</a>.","ama":"Driben R, Konotop VV, Meier T, Yulin AV. Bloch oscillations sustained by nonlinearity. <i>Scientific Reports</i>. 2017;7(1). doi:<a href=\"https://doi.org/10.1038/s41598-017-03400-w\">10.1038/s41598-017-03400-w</a>","bibtex":"@article{Driben_Konotop_Meier_Yulin_2017, title={Bloch oscillations sustained by nonlinearity}, volume={7}, DOI={<a href=\"https://doi.org/10.1038/s41598-017-03400-w\">10.1038/s41598-017-03400-w</a>}, number={13194}, journal={Scientific Reports}, author={Driben, R. and Konotop, V. V. and Meier, Torsten and Yulin, A. V.}, year={2017} }"},"status":"public","user_id":"49063","volume":7,"_id":"13288"}]