[{"title":"Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility","doi":"10.1002/ejic.201800511","date_updated":"2022-01-06T06:51:30Z","author":[{"last_name":"Rösener","full_name":"Rösener, Thomas","first_name":"Thomas"},{"last_name":"Hoffmann","full_name":"Hoffmann, Alexander","first_name":"Alexander"},{"first_name":"Sonja","last_name":"Herres-Pawlis","full_name":"Herres-Pawlis, Sonja"}],"date_created":"2019-09-11T11:00:06Z","volume":2018,"year":"2018","citation":{"ama":"Rösener T, Hoffmann A, Herres-Pawlis S. Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility. <i>European Journal of Inorganic Chemistry</i>. 2018;2018(27):3164-3175. doi:<a href=\"https://doi.org/10.1002/ejic.201800511\">10.1002/ejic.201800511</a>","ieee":"T. Rösener, A. Hoffmann, and S. Herres-Pawlis, “Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility,” <i>European Journal of Inorganic Chemistry</i>, vol. 2018, no. 27, pp. 3164–3175, 2018.","chicago":"Rösener, Thomas, Alexander Hoffmann, and Sonja Herres-Pawlis. “Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility.” <i>European Journal of Inorganic Chemistry</i> 2018, no. 27 (2018): 3164–75. <a href=\"https://doi.org/10.1002/ejic.201800511\">https://doi.org/10.1002/ejic.201800511</a>.","apa":"Rösener, T., Hoffmann, A., &#38; Herres-Pawlis, S. (2018). Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility. <i>European Journal of Inorganic Chemistry</i>, <i>2018</i>(27), 3164–3175. <a href=\"https://doi.org/10.1002/ejic.201800511\">https://doi.org/10.1002/ejic.201800511</a>","mla":"Rösener, Thomas, et al. “Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility.” <i>European Journal of Inorganic Chemistry</i>, vol. 2018, no. 27, 2018, pp. 3164–75, doi:<a href=\"https://doi.org/10.1002/ejic.201800511\">10.1002/ejic.201800511</a>.","bibtex":"@article{Rösener_Hoffmann_Herres-Pawlis_2018, title={Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility}, volume={2018}, DOI={<a href=\"https://doi.org/10.1002/ejic.201800511\">10.1002/ejic.201800511</a>}, number={27}, journal={European Journal of Inorganic Chemistry}, author={Rösener, Thomas and Hoffmann, Alexander and Herres-Pawlis, Sonja}, year={2018}, pages={3164–3175} }","short":"T. Rösener, A. Hoffmann, S. Herres-Pawlis, European Journal of Inorganic Chemistry 2018 (2018) 3164–3175."},"page":"3164-3175","intvolume":"      2018","issue":"27","keyword":["Copper","Polymerization","Redox chemistry","Structure elucidation","Ligand effects"],"language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13186","user_id":"40778","abstract":[{"text":"Ligands DMEG6etqu, TMG6etqu, DMEG6buqu, and TMG6buqu were developed on the basis of guanidine quinoline (GUAqu) ligands 1,3-dimethyl-N-(quinolin-8-yl)imidazolidin-2-imine (DMEGqu) and 1,1,3,3-tetramethyl-2-(quinolin-8-yl)guanidine (TMGqu). These ligands feature an alkyl substituent at the C6 of the quinoline backbone. The synthetic strategy developed here enables inexpensive syntheses of any kind of C6-substituted GUAqu ligands. On one hand, the alkylation increases the solubility of corresponding copper complexes in apolar atom transfer radical polymerization (ATRP) monomers like styrene. On the other hand, it has a significant electronic influence and thus an effect on the donor properties of the new ligands. Seven CuI and CuII complexes of DMEG6etqu and TMG6etqu have been crystallized and were studied with regard to their structural and electrochemical properties. CuI and CuII complexes of DMEG6buqu and TMG6buqu turned out to be perfectly soluble in pure styrene even at room temperature, which makes them excellent catalysts in the ATRP of apolar monomers. The key characteristics of the ATRP equilibrium, KATRP and kact, were determined for the new complexes. In addition, we used our recently developed DFT methodology, NBO analysis, and isodesmic reactions to predict the influence of the introduced alkyl substituents. It turned out that high conformational freedom in the complex structures leads to a significant uncertainty in prediction of the thermodynamic properties.","lang":"eng"}],"status":"public","type":"journal_article","publication":"European Journal of Inorganic Chemistry"},{"citation":{"chicago":"Tierney, Kevin, Jan Fabian Ehmke, Ann Melissa Campbell, and Daniel Müller. “Liner Shipping Single Service Design Problem with Arrival Time Service Levels.” <i>Flexible Services and Manufacturing Journal</i>, 2018, 620–52. <a href=\"https://doi.org/10.1007/s10696-018-9325-y\">https://doi.org/10.1007/s10696-018-9325-y</a>.","ieee":"K. Tierney, J. F. Ehmke, A. M. Campbell, and D. Müller, “Liner Shipping Single Service Design Problem with Arrival Time Service Levels,” <i>Flexible Services and Manufacturing Journal</i>, pp. 620–652, 2018.","ama":"Tierney K, Ehmke JF, Campbell AM, Müller D. Liner Shipping Single Service Design Problem with Arrival Time Service Levels. <i>Flexible Services and Manufacturing Journal</i>. 2018:620-652. doi:<a href=\"https://doi.org/10.1007/s10696-018-9325-y\">10.1007/s10696-018-9325-y</a>","apa":"Tierney, K., Ehmke, J. F., Campbell, A. M., &#38; Müller, D. (2018). Liner Shipping Single Service Design Problem with Arrival Time Service Levels. <i>Flexible Services and Manufacturing Journal</i>, 620–652. <a href=\"https://doi.org/10.1007/s10696-018-9325-y\">https://doi.org/10.1007/s10696-018-9325-y</a>","bibtex":"@article{Tierney_Ehmke_Campbell_Müller_2018, title={Liner Shipping Single Service Design Problem with Arrival Time Service Levels}, DOI={<a href=\"https://doi.org/10.1007/s10696-018-9325-y\">10.1007/s10696-018-9325-y</a>}, journal={Flexible Services and Manufacturing Journal}, author={Tierney, Kevin and Ehmke, Jan Fabian and Campbell, Ann Melissa and Müller, Daniel}, year={2018}, pages={620–652} }","short":"K. Tierney, J.F. Ehmke, A.M. Campbell, D. Müller, Flexible Services and Manufacturing Journal (2018) 620–652.","mla":"Tierney, Kevin, et al. “Liner Shipping Single Service Design Problem with Arrival Time Service Levels.” <i>Flexible Services and Manufacturing Journal</i>, 2018, pp. 620–52, doi:<a href=\"https://doi.org/10.1007/s10696-018-9325-y\">10.1007/s10696-018-9325-y</a>."},"page":"620-652","year":"2018","publication_status":"published","publication_identifier":{"issn":["1936-6582","1936-6590"]},"doi":"10.1007/s10696-018-9325-y","title":"Liner Shipping Single Service Design Problem with Arrival Time Service Levels","author":[{"first_name":"Kevin","last_name":"Tierney","full_name":"Tierney, Kevin"},{"first_name":"Jan Fabian","last_name":"Ehmke","full_name":"Ehmke, Jan Fabian"},{"full_name":"Campbell, Ann Melissa","last_name":"Campbell","first_name":"Ann Melissa"},{"full_name":"Müller, Daniel","last_name":"Müller","first_name":"Daniel"}],"date_created":"2019-09-17T13:35:24Z","date_updated":"2022-01-06T06:51:31Z","status":"public","type":"journal_article","publication":"Flexible Services and Manufacturing Journal","language":[{"iso":"eng"}],"user_id":"40778","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13248"},{"language":[{"iso":"eng"}],"user_id":"40778","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13249","status":"public","editor":[{"last_name":"Hooker","full_name":"Hooker, John","first_name":"John"}],"abstract":[{"text":"We revisit algorithm selection for declarative programming solvers. We introduce two main ideas to improve cost-sensitive hierarchical clustering: First, to augment the portfolio builder with a self-configuration component. And second, we propose that the algorithm selector assesses the confidence level of its own prediction, so that a more defensive recourse action can be used to overturn the original recommendation.","lang":"eng"}],"type":"conference","publication":"Principles and Practice of Constraint Programming","title":"Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse","date_created":"2019-09-17T13:38:10Z","author":[{"first_name":"Carlos","full_name":"Ansotegui, Carlos","last_name":"Ansotegui"},{"first_name":"Meinolf","full_name":"Sellmann, Meinolf","last_name":"Sellmann"},{"last_name":"Tierney","full_name":"Tierney, Kevin","first_name":"Kevin"}],"publisher":"Springer International Publishing","date_updated":"2022-01-06T06:51:31Z","citation":{"apa":"Ansotegui, C., Sellmann, M., &#38; Tierney, K. (2018). Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse. In J. Hooker (Ed.), <i>Principles and Practice of Constraint Programming</i> (pp. 524–534). Cham: Springer International Publishing.","mla":"Ansotegui, Carlos, et al. “Self-Configuring Cost-Sensitive Hierarchical Clustering with Recourse.” <i>Principles and Practice of Constraint Programming</i>, edited by John Hooker, Springer International Publishing, 2018, pp. 524–34.","bibtex":"@inproceedings{Ansotegui_Sellmann_Tierney_2018, place={Cham}, title={Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse}, booktitle={Principles and Practice of Constraint Programming}, publisher={Springer International Publishing}, author={Ansotegui, Carlos and Sellmann, Meinolf and Tierney, Kevin}, editor={Hooker, JohnEditor}, year={2018}, pages={524–534} }","short":"C. Ansotegui, M. Sellmann, K. Tierney, in: J. Hooker (Ed.), Principles and Practice of Constraint Programming, Springer International Publishing, Cham, 2018, pp. 524–534.","ama":"Ansotegui C, Sellmann M, Tierney K. Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse. In: Hooker J, ed. <i>Principles and Practice of Constraint Programming</i>. Cham: Springer International Publishing; 2018:524-534.","chicago":"Ansotegui, Carlos, Meinolf Sellmann, and Kevin Tierney. “Self-Configuring Cost-Sensitive Hierarchical Clustering with Recourse.” In <i>Principles and Practice of Constraint Programming</i>, edited by John Hooker, 524–34. Cham: Springer International Publishing, 2018.","ieee":"C. Ansotegui, M. Sellmann, and K. Tierney, “Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse,” in <i>Principles and Practice of Constraint Programming</i>, 2018, pp. 524–534."},"page":"524-534","year":"2018","place":"Cham","publication_identifier":{"isbn":["978-3-319-98334-9"]}},{"issue":"5","citation":{"ama":"Mausbach P, Köster A, Vrabec J. Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry. <i>Phys Rev E</i>. 2018;97(5):052149. doi:<a href=\"https://doi.org/10.1103/PhysRevE.97.052149\">10.1103/PhysRevE.97.052149</a>","chicago":"Mausbach, Peter, Andreas Köster, and Jadran Vrabec. “Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry.” <i>Phys. Rev. E</i> 97, no. 5 (2018): 052149. <a href=\"https://doi.org/10.1103/PhysRevE.97.052149\">https://doi.org/10.1103/PhysRevE.97.052149</a>.","ieee":"P. Mausbach, A. Köster, and J. Vrabec, “Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry,” <i>Phys. Rev. E</i>, vol. 97, no. 5, p. 052149, 2018.","mla":"Mausbach, Peter, et al. “Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry.” <i>Phys. Rev. E</i>, vol. 97, no. 5, American Physical Society, 2018, p. 052149, doi:<a href=\"https://doi.org/10.1103/PhysRevE.97.052149\">10.1103/PhysRevE.97.052149</a>.","short":"P. Mausbach, A. Köster, J. Vrabec, Phys. Rev. E 97 (2018) 052149.","bibtex":"@article{Mausbach_Köster_Vrabec_2018, title={Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry}, volume={97}, DOI={<a href=\"https://doi.org/10.1103/PhysRevE.97.052149\">10.1103/PhysRevE.97.052149</a>}, number={5}, journal={Phys. Rev. E}, publisher={American Physical Society}, author={Mausbach, Peter and Köster, Andreas and Vrabec, Jadran}, year={2018}, pages={052149} }","apa":"Mausbach, P., Köster, A., &#38; Vrabec, J. (2018). Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry. <i>Phys. Rev. E</i>, <i>97</i>(5), 052149. <a href=\"https://doi.org/10.1103/PhysRevE.97.052149\">https://doi.org/10.1103/PhysRevE.97.052149</a>"},"page":"052149","intvolume":"        97","year":"2018","author":[{"last_name":"Mausbach","full_name":"Mausbach, Peter","first_name":"Peter"},{"first_name":"Andreas","full_name":"Köster, Andreas","last_name":"Köster"},{"full_name":"Vrabec, Jadran","last_name":"Vrabec","first_name":"Jadran"}],"date_created":"2019-09-18T08:44:46Z","volume":97,"date_updated":"2022-01-06T06:51:31Z","publisher":"American Physical Society","doi":"10.1103/PhysRevE.97.052149","title":"Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry","type":"journal_article","publication":"Phys. Rev. E","status":"public","user_id":"40778","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13275","language":[{"iso":"eng"}]},{"title":"Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC","doi":"10.1103/PhysRevB.98.214113","publisher":"American Physical Society","date_updated":"2022-01-06T06:51:32Z","volume":98,"date_created":"2019-09-19T07:15:32Z","author":[{"last_name":"Zargaleh","full_name":"Zargaleh, S. A.","first_name":"S. A."},{"full_name":"von Bardeleben, H. J.","last_name":"von Bardeleben","first_name":"H. J."},{"first_name":"J. L.","full_name":"Cantin, J. L.","last_name":"Cantin"},{"first_name":"Uwe","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe"},{"first_name":"S.","last_name":"Hameau","full_name":"Hameau, S."},{"first_name":"B.","last_name":"Ebl\\'e","full_name":"Ebl\\'e, B."},{"first_name":"Weibo","full_name":"Gao, Weibo","last_name":"Gao"}],"year":"2018","intvolume":"        98","page":"214113","citation":{"ama":"Zargaleh SA, von Bardeleben HJ, Cantin JL, et al. Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC. <i>Phys Rev B</i>. 2018;98(21):214113. doi:<a href=\"https://doi.org/10.1103/PhysRevB.98.214113\">10.1103/PhysRevB.98.214113</a>","chicago":"Zargaleh, S. A., H. J. von Bardeleben, J. L. Cantin, Uwe Gerstmann, S. Hameau, B. Ebl\\’e, and Weibo Gao. “Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC.” <i>Phys. Rev. B</i> 98, no. 21 (2018): 214113. <a href=\"https://doi.org/10.1103/PhysRevB.98.214113\">https://doi.org/10.1103/PhysRevB.98.214113</a>.","ieee":"S. A. Zargaleh <i>et al.</i>, “Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC,” <i>Phys. Rev. B</i>, vol. 98, no. 21, p. 214113, 2018.","bibtex":"@article{Zargaleh_von Bardeleben_Cantin_Gerstmann_Hameau_Ebl\\’e_Gao_2018, title={Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC}, volume={98}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.98.214113\">10.1103/PhysRevB.98.214113</a>}, number={21}, journal={Phys. Rev. B}, publisher={American Physical Society}, author={Zargaleh, S. A. and von Bardeleben, H. J. and Cantin, J. L. and Gerstmann, Uwe and Hameau, S. and Ebl\\’e, B. and Gao, Weibo}, year={2018}, pages={214113} }","short":"S.A. Zargaleh, H.J. von Bardeleben, J.L. Cantin, U. Gerstmann, S. Hameau, B. Ebl\\’e, W. Gao, Phys. Rev. B 98 (2018) 214113.","mla":"Zargaleh, S. A., et al. “Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC.” <i>Phys. Rev. B</i>, vol. 98, no. 21, American Physical Society, 2018, p. 214113, doi:<a href=\"https://doi.org/10.1103/PhysRevB.98.214113\">10.1103/PhysRevB.98.214113</a>.","apa":"Zargaleh, S. A., von Bardeleben, H. J., Cantin, J. L., Gerstmann, U., Hameau, S., Ebl\\’e, B., &#38; Gao, W. (2018). Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC. <i>Phys. Rev. B</i>, <i>98</i>(21), 214113. <a href=\"https://doi.org/10.1103/PhysRevB.98.214113\">https://doi.org/10.1103/PhysRevB.98.214113</a>"},"issue":"21","language":[{"iso":"eng"}],"_id":"13291","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"user_id":"40778","status":"public","publication":"Phys. Rev. B","type":"journal_article"},{"author":[{"first_name":"Alan Adam","last_name":"Camberg","full_name":"Camberg, Alan Adam","id":"60544"},{"first_name":"F","last_name":"Bohner","full_name":"Bohner, F"},{"first_name":"J","last_name":"Tölle","full_name":"Tölle, J"},{"first_name":"A","full_name":"Schneidt, A","last_name":"Schneidt"},{"last_name":"Meiners","full_name":"Meiners, S","first_name":"S"},{"id":"553","full_name":"Tröster, Thomas","last_name":"Tröster","first_name":"Thomas"}],"date_created":"2019-09-22T17:39:04Z","date_updated":"2022-01-06T06:51:36Z","doi":"10.1088/1757-899x/418/1/012018","title":"Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models","publication_status":"published","publication_identifier":{"issn":["1757-899X"]},"citation":{"chicago":"Camberg, Alan Adam, F Bohner, J Tölle, A Schneidt, S Meiners, and Thomas Tröster. “Formability Enhancement of EN AW-5182 H18 Aluminum Alloy Sheet Metal Parts in a Flash Forming Process: Testing, Calibration and Evaluation of Fracture Models.” <i>IOP Conference Series: Materials Science and Engineering</i>, 2018. <a href=\"https://doi.org/10.1088/1757-899x/418/1/012018\">https://doi.org/10.1088/1757-899x/418/1/012018</a>.","ieee":"A. A. Camberg, F. Bohner, J. Tölle, A. Schneidt, S. Meiners, and T. Tröster, “Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models,” <i>IOP Conference Series: Materials Science and Engineering</i>, 2018.","ama":"Camberg AA, Bohner F, Tölle J, Schneidt A, Meiners S, Tröster T. Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models. <i>IOP Conference Series: Materials Science and Engineering</i>. 2018. doi:<a href=\"https://doi.org/10.1088/1757-899x/418/1/012018\">10.1088/1757-899x/418/1/012018</a>","bibtex":"@article{Camberg_Bohner_Tölle_Schneidt_Meiners_Tröster_2018, title={Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models}, DOI={<a href=\"https://doi.org/10.1088/1757-899x/418/1/012018\">10.1088/1757-899x/418/1/012018</a>}, number={012018}, journal={IOP Conference Series: Materials Science and Engineering}, author={Camberg, Alan Adam and Bohner, F and Tölle, J and Schneidt, A and Meiners, S and Tröster, Thomas}, year={2018} }","short":"A.A. Camberg, F. Bohner, J. Tölle, A. Schneidt, S. Meiners, T. Tröster, IOP Conference Series: Materials Science and Engineering (2018).","mla":"Camberg, Alan Adam, et al. “Formability Enhancement of EN AW-5182 H18 Aluminum Alloy Sheet Metal Parts in a Flash Forming Process: Testing, Calibration and Evaluation of Fracture Models.” <i>IOP Conference Series: Materials Science and Engineering</i>, 012018, 2018, doi:<a href=\"https://doi.org/10.1088/1757-899x/418/1/012018\">10.1088/1757-899x/418/1/012018</a>.","apa":"Camberg, A. A., Bohner, F., Tölle, J., Schneidt, A., Meiners, S., &#38; Tröster, T. (2018). Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models. <i>IOP Conference Series: Materials Science and Engineering</i>. <a href=\"https://doi.org/10.1088/1757-899x/418/1/012018\">https://doi.org/10.1088/1757-899x/418/1/012018</a>"},"year":"2018","user_id":"60544","department":[{"_id":"9"},{"_id":"321"},{"_id":"149"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13439","language":[{"iso":"eng"}],"article_number":"012018","type":"journal_article","publication":"IOP Conference Series: Materials Science and Engineering","status":"public"},{"date_updated":"2022-01-06T06:50:22Z","author":[{"last_name":"Nicholson","full_name":"Nicholson, C. W.","first_name":"C. W."},{"first_name":"A.","last_name":"Lücke","full_name":"Lücke, A."},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"last_name":"Puppin","full_name":"Puppin, M.","first_name":"M."},{"last_name":"Rettig","full_name":"Rettig, L.","first_name":"L."},{"first_name":"R.","last_name":"Ernstorfer","full_name":"Ernstorfer, R."},{"full_name":"Wolf, M.","last_name":"Wolf","first_name":"M."}],"date_created":"2019-05-29T06:46:27Z","title":"Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition","doi":"10.1126/science.aar4183","publication_status":"published","publication_identifier":{"issn":["0036-8075","1095-9203"]},"year":"2018","citation":{"ama":"Nicholson CW, Lücke A, Schmidt WG, et al. Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition. <i>Science</i>. 2018:821-825. doi:<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>","ieee":"C. W. Nicholson <i>et al.</i>, “Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition,” <i>Science</i>, pp. 821–825, 2018.","chicago":"Nicholson, C. W., A. Lücke, Wolf Gero Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, and M. Wolf. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.” <i>Science</i>, 2018, 821–25. <a href=\"https://doi.org/10.1126/science.aar4183\">https://doi.org/10.1126/science.aar4183</a>.","mla":"Nicholson, C. W., et al. “Beyond the Molecular Movie: Dynamics of Bands and Bonds during a Photoinduced Phase Transition.” <i>Science</i>, 2018, pp. 821–25, doi:<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>.","short":"C.W. Nicholson, A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer, M. Wolf, Science (2018) 821–825.","bibtex":"@article{Nicholson_Lücke_Schmidt_Puppin_Rettig_Ernstorfer_Wolf_2018, title={Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition}, DOI={<a href=\"https://doi.org/10.1126/science.aar4183\">10.1126/science.aar4183</a>}, journal={Science}, author={Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2018}, pages={821–825} }","apa":"Nicholson, C. W., Lücke, A., Schmidt, W. G., Puppin, M., Rettig, L., Ernstorfer, R., &#38; Wolf, M. (2018). Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition. <i>Science</i>, 821–825. <a href=\"https://doi.org/10.1126/science.aar4183\">https://doi.org/10.1126/science.aar4183</a>"},"page":"821-825","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"_id":"10013","user_id":"16199","department":[{"_id":"15"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Science","abstract":[{"lang":"eng","text":"<jats:p>Ultrafast nonequilibrium dynamics offer a route to study the microscopic interactions that govern macroscopic behavior. In particular, photoinduced phase transitions (PIPTs) in solids provide a test case for how forces, and the resulting atomic motion along a reaction coordinate, originate from a nonequilibrium population of excited electronic states. Using femtosecond photoemission, we obtain access to the transient electronic structure during an ultrafast PIPT in a model system: indium nanowires on a silicon(111) surface. We uncover a detailed reaction pathway, allowing a direct comparison with the dynamics predicted by ab initio simulations. This further reveals the crucial role played by localized photoholes in shaping the potential energy landscape and enables a combined momentum- and real-space description of PIPTs, including the ultrafast formation of chemical bonds.</jats:p>"}],"status":"public"},{"publication_status":"published","publication_identifier":{"issn":["1948-7185"]},"year":"2018","citation":{"ama":"Paszkiewicz M, Biktagirov T, Aldahhak H, et al. Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. <i>The Journal of Physical Chemistry Letters</i>. 2018:6412-6420. doi:<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>","chicago":"Paszkiewicz, Mateusz, Timur Biktagirov, Hazem Aldahhak, Francesco Allegretti, Eva Rauls, Wolfgang Schöfberger, Wolf Gero Schmidt, Johannes V. Barth, Uwe Gerstmann, and Florian Klappenberger. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” <i>The Journal of Physical Chemistry Letters</i>, 2018, 6412–20. <a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">https://doi.org/10.1021/acs.jpclett.8b02525</a>.","ieee":"M. Paszkiewicz <i>et al.</i>, “Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis,” <i>The Journal of Physical Chemistry Letters</i>, pp. 6412–6420, 2018.","short":"M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger, W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical Chemistry Letters (2018) 6412–6420.","bibtex":"@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018, title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}, DOI={<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>}, journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }","mla":"Paszkiewicz, Mateusz, et al. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” <i>The Journal of Physical Chemistry Letters</i>, 2018, pp. 6412–20, doi:<a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">10.1021/acs.jpclett.8b02525</a>.","apa":"Paszkiewicz, M., Biktagirov, T., Aldahhak, H., Allegretti, F., Rauls, E., Schöfberger, W., … Klappenberger, F. (2018). Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. <i>The Journal of Physical Chemistry Letters</i>, 6412–6420. <a href=\"https://doi.org/10.1021/acs.jpclett.8b02525\">https://doi.org/10.1021/acs.jpclett.8b02525</a>"},"page":"6412-6420","date_updated":"2022-01-06T06:50:24Z","author":[{"full_name":"Paszkiewicz, Mateusz","last_name":"Paszkiewicz","first_name":"Mateusz"},{"first_name":"Timur","last_name":"Biktagirov","full_name":"Biktagirov, Timur"},{"last_name":"Aldahhak","full_name":"Aldahhak, Hazem","id":"26687","first_name":"Hazem"},{"first_name":"Francesco","last_name":"Allegretti","full_name":"Allegretti, Francesco"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"first_name":"Wolfgang","last_name":"Schöfberger","full_name":"Schöfberger, Wolfgang"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"last_name":"Barth","full_name":"Barth, Johannes V.","first_name":"Johannes V."},{"full_name":"Gerstmann, Uwe","id":"171","last_name":"Gerstmann","first_name":"Uwe"},{"first_name":"Florian","full_name":"Klappenberger, Florian","last_name":"Klappenberger"}],"date_created":"2019-05-29T07:20:57Z","title":"Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis","doi":"10.1021/acs.jpclett.8b02525","type":"journal_article","publication":"The Journal of Physical Chemistry Letters","status":"public","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"}],"_id":"10016","user_id":"16199","department":[{"_id":"15"}],"language":[{"iso":"eng"}]},{"page":"6787-6797","citation":{"short":"H. Aldahhak, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A.C. Papageorgiou, Y.-Q. Zhang, L. Zhang, T. Lin, T. Paintner, R. Koch, W.G. Schmidt, J.V. Barth, W. Schöfberger, S. Müllegger, F. Klappenberger, U. Gerstmann, Chemistry - A European Journal (2018) 6787–6797.","mla":"Aldahhak, Hazem, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” <i>Chemistry - A European Journal</i>, 2018, pp. 6787–97, doi:<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>.","bibtex":"@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}, DOI={<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>}, journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797} }","apa":"Aldahhak, H., Paszkiewicz, M., Rauls, E., Allegretti, F., Tebi, S., Papageorgiou, A. C., … Gerstmann, U. (2018). Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). <i>Chemistry - A European Journal</i>, 6787–6797. <a href=\"https://doi.org/10.1002/chem.201705921\">https://doi.org/10.1002/chem.201705921</a>","chicago":"Aldahhak, Hazem, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A. C. Papageorgiou, Y.-Q. Zhang, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” <i>Chemistry - A European Journal</i>, 2018, 6787–97. <a href=\"https://doi.org/10.1002/chem.201705921\">https://doi.org/10.1002/chem.201705921</a>.","ieee":"H. Aldahhak <i>et al.</i>, “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111),” <i>Chemistry - A European Journal</i>, pp. 6787–6797, 2018.","ama":"Aldahhak H, Paszkiewicz M, Rauls E, et al. Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). <i>Chemistry - A European Journal</i>. 2018:6787-6797. doi:<a href=\"https://doi.org/10.1002/chem.201705921\">10.1002/chem.201705921</a>"},"year":"2018","publication_identifier":{"issn":["0947-6539"]},"publication_status":"published","doi":"10.1002/chem.201705921","title":"Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)","author":[{"first_name":"Hazem","last_name":"Aldahhak","id":"26687","full_name":"Aldahhak, Hazem"},{"full_name":"Paszkiewicz, M.","last_name":"Paszkiewicz","first_name":"M."},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"first_name":"F.","last_name":"Allegretti","full_name":"Allegretti, F."},{"last_name":"Tebi","full_name":"Tebi, S.","first_name":"S."},{"full_name":"Papageorgiou, A. C.","last_name":"Papageorgiou","first_name":"A. C."},{"first_name":"Y.-Q.","last_name":"Zhang","full_name":"Zhang, Y.-Q."},{"first_name":"L.","full_name":"Zhang, L.","last_name":"Zhang"},{"first_name":"T.","last_name":"Lin","full_name":"Lin, T."},{"first_name":"T.","full_name":"Paintner, T.","last_name":"Paintner"},{"first_name":"R.","last_name":"Koch","full_name":"Koch, R."},{"full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"first_name":"J. V.","last_name":"Barth","full_name":"Barth, J. V."},{"first_name":"W.","full_name":"Schöfberger, W.","last_name":"Schöfberger"},{"last_name":"Müllegger","full_name":"Müllegger, S.","first_name":"S."},{"full_name":"Klappenberger, F.","last_name":"Klappenberger","first_name":"F."},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe"}],"date_created":"2019-05-29T07:37:30Z","date_updated":"2022-01-06T06:50:24Z","status":"public","publication":"Chemistry - A European Journal","type":"journal_article","language":[{"iso":"eng"}],"department":[{"_id":"15"}],"user_id":"16199","_id":"10019","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B4","_id":"69"}]},{"year":"2018","citation":{"apa":"Fathi Ahmed, A., Sherif, M., &#38; Ngonga Ngomo, A.-C. (2018). RADON2: A buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results). <i>Proceedings of Ontology Matching Workshop 2018</i>.","bibtex":"@inproceedings{Fathi Ahmed_Sherif_Ngonga Ngomo_2018, title={RADON2: A buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results)}, booktitle={Proceedings of Ontology Matching Workshop 2018}, author={Fathi Ahmed, Abdullah and Sherif, Mohamed and Ngonga Ngomo, Axel-Cyrille}, year={2018} }","short":"A. Fathi Ahmed, M. Sherif, A.-C. Ngonga Ngomo, in: Proceedings of Ontology Matching Workshop 2018, 2018.","mla":"Fathi Ahmed, Abdullah, et al. “RADON2: A Buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results).” <i>Proceedings of Ontology Matching Workshop 2018</i>, 2018.","ama":"Fathi Ahmed A, Sherif M, Ngonga Ngomo A-C. RADON2: A buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results). In: <i>Proceedings of Ontology Matching Workshop 2018</i>. ; 2018.","ieee":"A. Fathi Ahmed, M. Sherif, and A.-C. Ngonga Ngomo, “RADON2: A buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results),” 2018.","chicago":"Fathi Ahmed, Abdullah, Mohamed Sherif, and Axel-Cyrille Ngonga Ngomo. “RADON2: A Buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results).” In <i>Proceedings of Ontology Matching Workshop 2018</i>, 2018."},"title":"RADON2: A buffered-Intersection Matrix Computing Approach To Accelerate Link Discovery Over Geo-Spatial RDF Knowledge Bases (OAEI2018 Results)","date_updated":"2022-04-05T10:28:29Z","author":[{"full_name":"Fathi Ahmed, Abdullah","last_name":"Fathi Ahmed","first_name":"Abdullah"},{"first_name":"Mohamed","id":"67234","full_name":"Sherif, Mohamed","last_name":"Sherif"},{"last_name":"Ngonga Ngomo","id":"65716","full_name":"Ngonga Ngomo, Axel-Cyrille","first_name":"Axel-Cyrille"}],"date_created":"2021-12-17T09:59:59Z","status":"public","publication":"Proceedings of Ontology Matching Workshop 2018","type":"conference","keyword":["2018 simba dice radon abdullah sherif ngonga slipo sage geiser hobbit group\\_aksw sys:relevantFor:infai sys:relevantFor:bis limes linkinglod sake diesel sys:relevantFor:leds leds"],"language":[{"iso":"eng"}],"_id":"29029","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"user_id":"67234"},{"citation":{"apa":"Fathi Ahmed, A., Ahmed Sherif, M., &#38; Ngonga Ngomo, A.-C. (2018). On the Effect of Geometries Simplification on Geo-spatial Link Discovery. <i>SEMANTiCS 2018 - Research Track</i>.","mla":"Fathi Ahmed, Abdullah, et al. “On the Effect of Geometries Simplification on Geo-Spatial Link Discovery.” <i>SEMANTiCS 2018 - Research Track</i>, 2018.","short":"A. Fathi Ahmed, M. Ahmed Sherif, A.-C. Ngonga Ngomo, in: SEMANTiCS 2018 - Research Track, 2018.","bibtex":"@inproceedings{Fathi Ahmed_Ahmed Sherif_Ngonga Ngomo_2018, series={SEMANTiCS ’18}, title={On the Effect of Geometries Simplification on Geo-spatial Link Discovery}, booktitle={SEMANTiCS 2018 - Research Track}, author={Fathi Ahmed, Abdullah and Ahmed Sherif, Mohamed and Ngonga Ngomo, Axel-Cyrille}, year={2018}, collection={SEMANTiCS ’18} }","ama":"Fathi Ahmed A, Ahmed Sherif M, Ngonga Ngomo A-C. On the Effect of Geometries Simplification on Geo-spatial Link Discovery. In: <i>SEMANTiCS 2018 - Research Track</i>. SEMANTiCS ’18. ; 2018.","ieee":"A. Fathi Ahmed, M. Ahmed Sherif, and A.-C. Ngonga Ngomo, “On the Effect of Geometries Simplification on Geo-spatial Link Discovery,” 2018.","chicago":"Fathi Ahmed, Abdullah, Mohamed Ahmed Sherif, and Axel-Cyrille Ngonga Ngomo. “On the Effect of Geometries Simplification on Geo-Spatial Link Discovery.” In <i>SEMANTiCS 2018 - Research Track</i>. SEMANTiCS ’18, 2018."},"year":"2018","title":"On the Effect of Geometries Simplification on Geo-spatial Link Discovery","date_created":"2021-12-17T09:55:30Z","author":[{"first_name":"Abdullah","last_name":"Fathi Ahmed","full_name":"Fathi Ahmed, Abdullah"},{"last_name":"Ahmed Sherif","full_name":"Ahmed Sherif, Mohamed","first_name":"Mohamed"},{"first_name":"Axel-Cyrille","full_name":"Ngonga Ngomo, Axel-Cyrille","last_name":"Ngonga Ngomo"}],"date_updated":"2022-04-05T10:29:12Z","status":"public","abstract":[{"lang":"eng","text":"Link discovery is central to the integration and use of data across RDF knowledge bases. Geospatial information is increasingly represented according to the Linked Data principles. Resources within such datasets are described by means of vector geometry, where link discovery approaches have to deal with millions of point sets consisting of billions of points. In this paper, we study the effect of simplifying the resources? geometries on runtime and F-measure of link discovery approaches. In particular, we evaluate link discovery approaches for computing the point-set distances as well as the topological relations among RDF resources with geospatial representation. The results obtained on two different real datasets suggest that most geospatial link discovery approaches achieve up to 67% speedup using simplification, while the average loss in their F-measure is less than 15\\%. Our implementation is open-source and available at http://github.com/dice-group/limes."}],"publication":"SEMANTiCS 2018 - Research Track","type":"conference","language":[{"iso":"eng"}],"keyword":["2018 sys:relevantFor:infai group\\_aksw simba abdullah sherif ngonga sage slipo projecthobbit limes dice"],"user_id":"67234","series_title":"SEMANTiCS '18","_id":"29015","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"language":[{"iso":"eng"}],"_id":"13209","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"304"}],"user_id":"71051","abstract":[{"lang":"eng","text":"We performed ab initio calculations to study oxygen and hydrogen point defects in the CuInSe2 (CISe) solar-cell material. We found that H interstitial defects (when one H atom is surrounded by four Se atoms) and HCu (when a H atom is replacing a Cu atom) are the most stable defects. Whereas these H substitutional defects remain neutral, H interstitial defects act as donor defects and are detrimental to the cell performance. The incorporation of H2 into the CISe lattice, on the other hand, is harmless to the p-type conductivity. Oxygen atoms tend to either substitute Se atoms in the CISe lattice or form interstitial defects, though the formation of substitutional defects is more favorable. All oxygen point defects have high formation energies, which results in a low concentration of these defects in CISe. However, the presence of oxygen in the system leads to the formation of secondary phases such as In2O3 and InCuO2. In addition to the point defects, we studied the adsorption of H2O molecules on a defect-free surface and a surface with a (2VCu + InCu) defect using the ab initio thermodynamics technique. Our results indicate that the dissociative water adsorption on the CISe surface is energetically unfavorable. Furthermore, in order to obtain a water-free surface, the surface with defects has to be calcined at a higher temperature compared to the defect-free surface."}],"status":"public","publication":"J. Phys. Chem. C","type":"journal_article","title":"Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water","doi":"10.1021/acs.jpcc.8b06709","date_updated":"2022-07-21T09:43:25Z","volume":122,"author":[{"last_name":"Sahoo","full_name":"Sahoo, Sudhir","first_name":"Sudhir"},{"full_name":"Kormath Madam Raghupathy, Ramya","id":"71692","last_name":"Kormath Madam Raghupathy","orcid":"https://orcid.org/0000-0003-4667-9744","first_name":"Ramya"},{"first_name":"Thomas","last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas"},{"last_name":"Mirhosseini","orcid":"https://orcid.org/0000-0001-6179-1545","full_name":"Mirhosseini, Hossein","id":"71051","first_name":"Hossein"}],"date_created":"2019-09-13T12:53:01Z","year":"2018","page":"21202-21209","intvolume":"       122","citation":{"ama":"Sahoo S, Kormath Madam Raghupathy R, Kühne T, Mirhosseini H. Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water. <i>J Phys Chem C</i>. 2018;122(37):21202-21209. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">10.1021/acs.jpcc.8b06709</a>","chicago":"Sahoo, Sudhir, Ramya Kormath Madam Raghupathy, Thomas Kühne, and Hossein Mirhosseini. “Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water.” <i>J. Phys. Chem. C</i> 122, no. 37 (2018): 21202–9. <a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">https://doi.org/10.1021/acs.jpcc.8b06709</a>.","ieee":"S. Sahoo, R. Kormath Madam Raghupathy, T. Kühne, and H. Mirhosseini, “Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water,” <i>J. Phys. Chem. C</i>, vol. 122, no. 37, pp. 21202–21209, 2018, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">10.1021/acs.jpcc.8b06709</a>.","apa":"Sahoo, S., Kormath Madam Raghupathy, R., Kühne, T., &#38; Mirhosseini, H. (2018). Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water. <i>J. Phys. Chem. C</i>, <i>122</i>(37), 21202–21209. <a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">https://doi.org/10.1021/acs.jpcc.8b06709</a>","short":"S. Sahoo, R. Kormath Madam Raghupathy, T. Kühne, H. Mirhosseini, J. Phys. Chem. C 122 (2018) 21202–21209.","bibtex":"@article{Sahoo_Kormath Madam Raghupathy_Kühne_Mirhosseini_2018, title={Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water}, volume={122}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">10.1021/acs.jpcc.8b06709</a>}, number={37}, journal={J. Phys. Chem. C}, author={Sahoo, Sudhir and Kormath Madam Raghupathy, Ramya and Kühne, Thomas and Mirhosseini, Hossein}, year={2018}, pages={21202–21209} }","mla":"Sahoo, Sudhir, et al. “Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water.” <i>J. Phys. Chem. C</i>, vol. 122, no. 37, 2018, pp. 21202–09, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b06709\">10.1021/acs.jpcc.8b06709</a>."},"publication_status":"published","issue":"37"},{"abstract":[{"lang":"eng","text":"In this work, we investigated ternary chalcogenide semiconductors to identify promising p-type transparent conducting materials (TCMs). High-throughput calculations were employed to find the compounds that satisfies our screening criteria. Our screening strategy was based on the size of band gaps, the values of hole effective masses, and p-type dopability. Our search led to the identification of seven promising compounds (IrSbS, Ba2GeSe4, Ba2SiSe4, Ba(BSe3)2, VCu3S4, NbCu3Se4, and CuBS2) as potential TCM candidates. In addition, branch point energy and optical absorption spectra calculations support our findings. Our results open a new direction for the design and development of p-type TCMs."}],"status":"public","type":"journal_article","publication":"Chemistry of Materials","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13210","user_id":"71051","department":[{"_id":"304"}],"year":"2018","citation":{"short":"R. Kormath Madam Raghupathy, H. Wiebeler, T. Kühne, C. Felser, H. Mirhosseini, Chemistry of Materials 30 (2018) 6794–6800.","bibtex":"@article{Kormath Madam Raghupathy_Wiebeler_Kühne_Felser_Mirhosseini_2018, title={Database screening of ternary chalcogenides for p-type transparent conductors}, volume={30}, DOI={<a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">10.1021/acs.chemmater.8b02719</a>}, number={19}, journal={Chemistry of Materials}, publisher={American Chemical Society}, author={Kormath Madam Raghupathy, Ramya and Wiebeler, Hendrik and Kühne, Thomas and Felser, Claudia and Mirhosseini, Hossein}, year={2018}, pages={6794–6800} }","mla":"Kormath Madam Raghupathy, Ramya, et al. “Database Screening of Ternary Chalcogenides for P-Type Transparent Conductors.” <i>Chemistry of Materials</i>, vol. 30, no. 19, American Chemical Society, 2018, pp. 6794–800, doi:<a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">10.1021/acs.chemmater.8b02719</a>.","apa":"Kormath Madam Raghupathy, R., Wiebeler, H., Kühne, T., Felser, C., &#38; Mirhosseini, H. (2018). Database screening of ternary chalcogenides for p-type transparent conductors. <i>Chemistry of Materials</i>, <i>30</i>(19), 6794–6800. <a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">https://doi.org/10.1021/acs.chemmater.8b02719</a>","chicago":"Kormath Madam Raghupathy, Ramya, Hendrik Wiebeler, Thomas Kühne, Claudia Felser, and Hossein Mirhosseini. “Database Screening of Ternary Chalcogenides for P-Type Transparent Conductors.” <i>Chemistry of Materials</i> 30, no. 19 (2018): 6794–6800. <a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">https://doi.org/10.1021/acs.chemmater.8b02719</a>.","ieee":"R. Kormath Madam Raghupathy, H. Wiebeler, T. Kühne, C. Felser, and H. Mirhosseini, “Database screening of ternary chalcogenides for p-type transparent conductors,” <i>Chemistry of Materials</i>, vol. 30, no. 19, pp. 6794–6800, 2018, doi: <a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">10.1021/acs.chemmater.8b02719</a>.","ama":"Kormath Madam Raghupathy R, Wiebeler H, Kühne T, Felser C, Mirhosseini H. Database screening of ternary chalcogenides for p-type transparent conductors. <i>Chemistry of Materials</i>. 2018;30(19):6794-6800. doi:<a href=\"https://doi.org/10.1021/acs.chemmater.8b02719\">10.1021/acs.chemmater.8b02719</a>"},"page":"6794-6800","intvolume":"        30","publication_status":"published","issue":"19","title":"Database screening of ternary chalcogenides for p-type transparent conductors","doi":"10.1021/acs.chemmater.8b02719","publisher":"American Chemical Society","date_updated":"2022-07-21T09:42:32Z","date_created":"2019-09-13T12:53:02Z","author":[{"orcid":"https://orcid.org/0000-0003-4667-9744","last_name":"Kormath Madam Raghupathy","id":"71692","full_name":"Kormath Madam Raghupathy, Ramya","first_name":"Ramya"},{"full_name":"Wiebeler, Hendrik","last_name":"Wiebeler","first_name":"Hendrik"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"},{"full_name":"Felser, Claudia","last_name":"Felser","first_name":"Claudia"},{"id":"71051","full_name":"Mirhosseini, Hossein","last_name":"Mirhosseini","orcid":"https://orcid.org/0000-0001-6179-1545","first_name":"Hossein"}],"volume":30},{"abstract":[{"lang":"eng","text":"In a wide range of applications it is desirable to optimally control a dynamical system with respect to concurrent, potentially competing goals. This gives rise to a multiobjective optimal control problem where, instead of computing a single optimal solution, the set of optimal compromises, the so-called Pareto set, has to be approximated. When the problem under consideration is described by a partial differential equation (PDE), as is the case for fluid flow, the computational cost rapidly increases and makes its direct treatment infeasible. Reduced order modeling is a very popular method to reduce the computational cost, in particular in a multi query context such as uncertainty quantification, parameter estimation or optimization. In this article, we show how to combine reduced order modeling and multiobjective optimal control techniques in order to efficiently solve multiobjective optimal control problems constrained by PDEs. We consider a global, derivative free optimization method as well as a local, gradient-based approach for which the optimality system is derived in two different ways. The methods are compared with regard to the solution quality as well as the computational effort and they are illustrated using the example of the flow around a cylinder and a backward-facing-step channel flow."}],"status":"public","type":"journal_article","publication":"Acta Applicandae Mathematicae","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"8753","user_id":"15694","department":[{"_id":"101"}],"year":"2018","citation":{"apa":"Peitz, S., Ober-Blöbaum, S., &#38; Dellnitz, M. (2018). Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling. <i>Acta Applicandae Mathematicae</i>, <i>161</i>(1), 171–199. <a href=\"https://doi.org/10.1007/s10440-018-0209-7\">https://doi.org/10.1007/s10440-018-0209-7</a>","mla":"Peitz, Sebastian, et al. “Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling.” <i>Acta Applicandae Mathematicae</i>, vol. 161, no. 1, 2018, pp. 171–199, doi:<a href=\"https://doi.org/10.1007/s10440-018-0209-7\">10.1007/s10440-018-0209-7</a>.","short":"S. Peitz, S. Ober-Blöbaum, M. Dellnitz, Acta Applicandae Mathematicae 161 (2018) 171–199.","bibtex":"@article{Peitz_Ober-Blöbaum_Dellnitz_2018, title={Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling}, volume={161}, DOI={<a href=\"https://doi.org/10.1007/s10440-018-0209-7\">10.1007/s10440-018-0209-7</a>}, number={1}, journal={Acta Applicandae Mathematicae}, author={Peitz, Sebastian and Ober-Blöbaum, Sina and Dellnitz, Michael}, year={2018}, pages={171–199} }","ama":"Peitz S, Ober-Blöbaum S, Dellnitz M. Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling. <i>Acta Applicandae Mathematicae</i>. 2018;161(1):171–199. doi:<a href=\"https://doi.org/10.1007/s10440-018-0209-7\">10.1007/s10440-018-0209-7</a>","ieee":"S. Peitz, S. Ober-Blöbaum, and M. Dellnitz, “Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling,” <i>Acta Applicandae Mathematicae</i>, vol. 161, no. 1, pp. 171–199, 2018, doi: <a href=\"https://doi.org/10.1007/s10440-018-0209-7\">10.1007/s10440-018-0209-7</a>.","chicago":"Peitz, Sebastian, Sina Ober-Blöbaum, and Michael Dellnitz. “Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling.” <i>Acta Applicandae Mathematicae</i> 161, no. 1 (2018): 171–199. <a href=\"https://doi.org/10.1007/s10440-018-0209-7\">https://doi.org/10.1007/s10440-018-0209-7</a>."},"intvolume":"       161","page":"171–199","publication_status":"published","publication_identifier":{"issn":["0167-8019","1572-9036"]},"issue":"1","title":"Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling","doi":"10.1007/s10440-018-0209-7","date_updated":"2022-01-21T10:01:41Z","author":[{"full_name":"Peitz, Sebastian","id":"47427","orcid":"https://orcid.org/0000-0002-3389-793X","last_name":"Peitz","first_name":"Sebastian"},{"first_name":"Sina","full_name":"Ober-Blöbaum, Sina","id":"16494","last_name":"Ober-Blöbaum"},{"first_name":"Michael","full_name":"Dellnitz, Michael","last_name":"Dellnitz"}],"date_created":"2019-03-29T13:30:41Z","volume":161},{"publication":"2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits & Systems (DDECS)","type":"conference","status":"public","_id":"4575","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"48"}],"user_id":"209","language":[{"iso":"eng"}],"publication_identifier":{"isbn":["9781538657546"]},"publication_status":"published","place":"Budapest, Hungary","year":"2018","citation":{"bibtex":"@inproceedings{Sprenger_Hellebrand_2018, place={Budapest, Hungary}, title={Tuning Stochastic Space Compaction to Faster-than-at-Speed Test}, DOI={<a href=\"https://doi.org/10.1109/ddecs.2018.00020\">10.1109/ddecs.2018.00020</a>}, booktitle={2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS)}, publisher={IEEE}, author={Sprenger, Alexander and Hellebrand, Sybille}, year={2018} }","mla":"Sprenger, Alexander, and Sybille Hellebrand. “Tuning Stochastic Space Compaction to Faster-than-at-Speed Test.” <i>2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS)</i>, IEEE, 2018, doi:<a href=\"https://doi.org/10.1109/ddecs.2018.00020\">10.1109/ddecs.2018.00020</a>.","short":"A. Sprenger, S. Hellebrand, in: 2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS), IEEE, Budapest, Hungary, 2018.","apa":"Sprenger, A., &#38; Hellebrand, S. (2018). Tuning Stochastic Space Compaction to Faster-than-at-Speed Test. <i>2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS)</i>. <a href=\"https://doi.org/10.1109/ddecs.2018.00020\">https://doi.org/10.1109/ddecs.2018.00020</a>","ieee":"A. Sprenger and S. Hellebrand, “Tuning Stochastic Space Compaction to Faster-than-at-Speed Test,” 2018, doi: <a href=\"https://doi.org/10.1109/ddecs.2018.00020\">10.1109/ddecs.2018.00020</a>.","chicago":"Sprenger, Alexander, and Sybille Hellebrand. “Tuning Stochastic Space Compaction to Faster-than-at-Speed Test.” In <i>2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS)</i>. Budapest, Hungary: IEEE, 2018. <a href=\"https://doi.org/10.1109/ddecs.2018.00020\">https://doi.org/10.1109/ddecs.2018.00020</a>.","ama":"Sprenger A, Hellebrand S. Tuning Stochastic Space Compaction to Faster-than-at-Speed Test. In: <i>2018 IEEE 21st International Symposium on Design and Diagnostics of Electronic Circuits &#38; Systems (DDECS)</i>. IEEE; 2018. doi:<a href=\"https://doi.org/10.1109/ddecs.2018.00020\">10.1109/ddecs.2018.00020</a>"},"date_updated":"2022-05-11T17:10:37Z","publisher":"IEEE","author":[{"id":"22707","full_name":"Sprenger, Alexander","last_name":"Sprenger","first_name":"Alexander"},{"orcid":"0000-0002-3717-3939","last_name":"Hellebrand","full_name":"Hellebrand, Sybille","id":"209","first_name":"Sybille"}],"date_created":"2018-10-02T12:18:46Z","title":"Tuning Stochastic Space Compaction to Faster-than-at-Speed Test","doi":"10.1109/ddecs.2018.00020"},{"department":[{"_id":"54"}],"user_id":"460","_id":"12899","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"publication":"Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India","type":"conference","status":"public","abstract":[{"text":"This contribution presents a speech enhancement system for the CHiME-5 Dinner Party Scenario. The front-end employs multi-channel linear time-variant filtering and achieves its gains without the use of a neural network. We present an adaptation of blind source separation techniques to the CHiME-5 database which we call Guided Source Separation (GSS). Using the baseline acoustic and language model, the combination of Weighted Prediction Error based dereverberation, guided source separation, and beamforming reduces the WER by 10:54% (relative) for the single array track and by 21:12% (relative) on the multiple array track.","lang":"eng"}],"date_created":"2019-07-30T14:35:15Z","author":[{"first_name":"Christoph","last_name":"Boeddeker","full_name":"Boeddeker, Christoph","id":"40767"},{"first_name":"Jens","last_name":"Heitkaemper","full_name":"Heitkaemper, Jens","id":"27643"},{"id":"460","full_name":"Schmalenstroeer, Joerg","last_name":"Schmalenstroeer","first_name":"Joerg"},{"first_name":"Lukas","last_name":"Drude","full_name":"Drude, Lukas","id":"11213"},{"first_name":"Jahn","full_name":"Heymann, Jahn","last_name":"Heymann"},{"first_name":"Reinhold","id":"242","full_name":"Haeb-Umbach, Reinhold","last_name":"Haeb-Umbach"}],"oa":"1","date_updated":"2023-10-26T08:14:15Z","main_file_link":[{"url":"https://groups.uni-paderborn.de/nt/pubs/2018/INTERSPEECH_2018_Heitkaemper_Paper.pdf","open_access":"1"}],"title":"Front-End Processing for the CHiME-5 Dinner Party Scenario","related_material":{"link":[{"url":"https://groups.uni-paderborn.de/nt/pubs/2018/INTERSPEECH_2018_Heitkaemper_Poster.pdf","description":"Poster","relation":"supplementary_material"}]},"quality_controlled":"1","citation":{"chicago":"Boeddeker, Christoph, Jens Heitkaemper, Joerg Schmalenstroeer, Lukas Drude, Jahn Heymann, and Reinhold Haeb-Umbach. “Front-End Processing for the CHiME-5 Dinner Party Scenario.” In <i>Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India</i>, 2018.","ieee":"C. Boeddeker, J. Heitkaemper, J. Schmalenstroeer, L. Drude, J. Heymann, and R. Haeb-Umbach, “Front-End Processing for the CHiME-5 Dinner Party Scenario,” 2018.","ama":"Boeddeker C, Heitkaemper J, Schmalenstroeer J, Drude L, Heymann J, Haeb-Umbach R. Front-End Processing for the CHiME-5 Dinner Party Scenario. In: <i>Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India</i>. ; 2018.","apa":"Boeddeker, C., Heitkaemper, J., Schmalenstroeer, J., Drude, L., Heymann, J., &#38; Haeb-Umbach, R. (2018). Front-End Processing for the CHiME-5 Dinner Party Scenario. <i>Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India</i>.","short":"C. Boeddeker, J. Heitkaemper, J. Schmalenstroeer, L. Drude, J. Heymann, R. Haeb-Umbach, in: Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India, 2018.","bibtex":"@inproceedings{Boeddeker_Heitkaemper_Schmalenstroeer_Drude_Heymann_Haeb-Umbach_2018, title={Front-End Processing for the CHiME-5 Dinner Party Scenario}, booktitle={Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India}, author={Boeddeker, Christoph and Heitkaemper, Jens and Schmalenstroeer, Joerg and Drude, Lukas and Heymann, Jahn and Haeb-Umbach, Reinhold}, year={2018} }","mla":"Boeddeker, Christoph, et al. “Front-End Processing for the CHiME-5 Dinner Party Scenario.” <i>Proc. CHiME 2018 Workshop on Speech Processing in Everyday Environments, Hyderabad, India</i>, 2018."},"year":"2018"},{"publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"citation":{"ama":"Schmidt C, Bühler J, Heinrich A-C, et al. Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>. 2018;9. doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>","chicago":"Schmidt, Claudia, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, Daniel Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.” <i>Nature Communications</i> 9 (2018). <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">https://doi.org/10.1038/s41467-018-05229-x</a>.","ieee":"C. Schmidt <i>et al.</i>, “Signatures of transient Wannier-Stark localization in bulk gallium arsenide,” <i>Nature Communications</i>, vol. 9, Art. no. 2890, 2018, doi: <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>.","apa":"Schmidt, C., Bühler, J., Heinrich, A.-C., Allerbeck, J., Podzimski, R., Berghoff, D., Meier, T., Schmidt, W. G., Reichl, C., Wegscheider, W., Brida, D., &#38; Leitenstorfer, A. (2018). Signatures of transient Wannier-Stark localization in bulk gallium arsenide. <i>Nature Communications</i>, <i>9</i>, Article 2890. <a href=\"https://doi.org/10.1038/s41467-018-05229-x\">https://doi.org/10.1038/s41467-018-05229-x</a>","bibtex":"@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium arsenide}, volume={9}, DOI={<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>}, number={2890}, journal={Nature Communications}, author={Schmidt, Claudia and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, Daniel and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and et al.}, year={2018} }","mla":"Schmidt, Claudia, et al. “Signatures of Transient Wannier-Stark Localization in Bulk Gallium Arsenide.” <i>Nature Communications</i>, vol. 9, 2890, 2018, doi:<a href=\"https://doi.org/10.1038/s41467-018-05229-x\">10.1038/s41467-018-05229-x</a>.","short":"C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff, T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer, Nature Communications 9 (2018)."},"intvolume":"         9","year":"2018","author":[{"orcid":"0000-0003-3179-9997","last_name":"Schmidt","full_name":"Schmidt, Claudia","id":"466","first_name":"Claudia"},{"last_name":"Bühler","full_name":"Bühler, J.","first_name":"J."},{"first_name":"A.-C.","full_name":"Heinrich, A.-C.","last_name":"Heinrich"},{"full_name":"Allerbeck, J.","last_name":"Allerbeck","first_name":"J."},{"first_name":"R.","full_name":"Podzimski, R.","last_name":"Podzimski"},{"last_name":"Berghoff","full_name":"Berghoff, Daniel","id":"38175","first_name":"Daniel"},{"first_name":"Torsten","id":"344","full_name":"Meier, Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"full_name":"Reichl, C.","last_name":"Reichl","first_name":"C."},{"first_name":"W.","last_name":"Wegscheider","full_name":"Wegscheider, W."},{"first_name":"D.","last_name":"Brida","full_name":"Brida, D."},{"first_name":"A.","last_name":"Leitenstorfer","full_name":"Leitenstorfer, A."}],"date_created":"2019-05-29T07:33:32Z","volume":9,"date_updated":"2023-04-21T11:34:48Z","doi":"10.1038/s41467-018-05229-x","title":"Signatures of transient Wannier-Stark localization in bulk gallium arsenide","type":"journal_article","publication":"Nature Communications","status":"public","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"293"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142"},{"_id":"54","name":"TRR 142 - Project Area A"},{"name":"TRR 142 - Subproject A2","_id":"59"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"10018","funded_apc":"1","language":[{"iso":"eng"}],"article_number":"2890"},{"author":[{"full_name":"Geiger, Zachary A.","last_name":"Geiger","first_name":"Zachary A."},{"last_name":"Fujiwara","full_name":"Fujiwara, Kurt M.","first_name":"Kurt M."},{"first_name":"Kevin","last_name":"Singh","full_name":"Singh, Kevin"},{"full_name":"Senaratne, Ruwan","last_name":"Senaratne","first_name":"Ruwan"},{"full_name":"Rajagopal, Shankari V.","last_name":"Rajagopal","first_name":"Shankari V."},{"first_name":"Mikhail","full_name":"Lipatov, Mikhail","last_name":"Lipatov"},{"first_name":"Toshihiko","full_name":"Shimasaki, Toshihiko","last_name":"Shimasaki"},{"first_name":"Rodislav","last_name":"Driben","full_name":"Driben, Rodislav"},{"first_name":"Vladimir V.","last_name":"Konotop","full_name":"Konotop, Vladimir V."},{"first_name":"Torsten","last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344"},{"full_name":"Weld, David M.","last_name":"Weld","first_name":"David M."}],"date_created":"2019-09-18T14:28:30Z","volume":120,"date_updated":"2023-04-21T11:33:04Z","doi":"10.1103/physrevlett.120.213201","title":"Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas","issue":"21","publication_status":"published","publication_identifier":{"issn":["0031-9007","1079-7114"]},"citation":{"apa":"Geiger, Z. A., Fujiwara, K. M., Singh, K., Senaratne, R., Rajagopal, S. V., Lipatov, M., Shimasaki, T., Driben, R., Konotop, V. V., Meier, T., &#38; Weld, D. M. (2018). Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas. <i>Physical Review Letters</i>, <i>120</i>(21). <a href=\"https://doi.org/10.1103/physrevlett.120.213201\">https://doi.org/10.1103/physrevlett.120.213201</a>","short":"Z.A. Geiger, K.M. Fujiwara, K. Singh, R. Senaratne, S.V. Rajagopal, M. Lipatov, T. Shimasaki, R. Driben, V.V. Konotop, T. Meier, D.M. Weld, Physical Review Letters 120 (2018).","bibtex":"@article{Geiger_Fujiwara_Singh_Senaratne_Rajagopal_Lipatov_Shimasaki_Driben_Konotop_Meier_et al._2018, title={Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas}, volume={120}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.120.213201\">10.1103/physrevlett.120.213201</a>}, number={21}, journal={Physical Review Letters}, author={Geiger, Zachary A. and Fujiwara, Kurt M. and Singh, Kevin and Senaratne, Ruwan and Rajagopal, Shankari V. and Lipatov, Mikhail and Shimasaki, Toshihiko and Driben, Rodislav and Konotop, Vladimir V. and Meier, Torsten and et al.}, year={2018} }","mla":"Geiger, Zachary A., et al. “Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas.” <i>Physical Review Letters</i>, vol. 120, no. 21, 2018, doi:<a href=\"https://doi.org/10.1103/physrevlett.120.213201\">10.1103/physrevlett.120.213201</a>.","chicago":"Geiger, Zachary A., Kurt M. Fujiwara, Kevin Singh, Ruwan Senaratne, Shankari V. Rajagopal, Mikhail Lipatov, Toshihiko Shimasaki, et al. “Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas.” <i>Physical Review Letters</i> 120, no. 21 (2018). <a href=\"https://doi.org/10.1103/physrevlett.120.213201\">https://doi.org/10.1103/physrevlett.120.213201</a>.","ieee":"Z. A. Geiger <i>et al.</i>, “Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas,” <i>Physical Review Letters</i>, vol. 120, no. 21, 2018, doi: <a href=\"https://doi.org/10.1103/physrevlett.120.213201\">10.1103/physrevlett.120.213201</a>.","ama":"Geiger ZA, Fujiwara KM, Singh K, et al. Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas. <i>Physical Review Letters</i>. 2018;120(21). doi:<a href=\"https://doi.org/10.1103/physrevlett.120.213201\">10.1103/physrevlett.120.213201</a>"},"intvolume":"       120","year":"2018","user_id":"16199","department":[{"_id":"15"},{"_id":"293"},{"_id":"35"},{"_id":"170"},{"_id":"230"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13286","language":[{"iso":"eng"}],"type":"journal_article","publication":"Physical Review Letters","status":"public"},{"_id":"13287","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"56","name":"TRR 142 - Project Area C"},{"name":"TRR 142 - Subproject C2","_id":"72"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","language":[{"iso":"eng"}],"publication":"Physical Review E","type":"journal_article","status":"public","date_updated":"2023-04-21T11:33:39Z","volume":97,"date_created":"2019-09-18T14:33:51Z","author":[{"first_name":"R.","last_name":"Driben","full_name":"Driben, R."},{"first_name":"V. V.","last_name":"Konotop","full_name":"Konotop, V. V."},{"full_name":"Malomed, B. A.","last_name":"Malomed","first_name":"B. A."},{"last_name":"Meier","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten","id":"344","first_name":"Torsten"},{"last_name":"Yulin","full_name":"Yulin, A. V.","first_name":"A. V."}],"title":"Nonlinearity-induced localization in a periodically driven semidiscrete system","doi":"10.1103/physreve.97.062210","publication_identifier":{"issn":["2470-0045","2470-0053"]},"publication_status":"published","issue":"6","year":"2018","intvolume":"        97","citation":{"chicago":"Driben, R., V. V. Konotop, B. A. Malomed, Torsten Meier, and A. V. Yulin. “Nonlinearity-Induced Localization in a Periodically Driven Semidiscrete System.” <i>Physical Review E</i> 97, no. 6 (2018). <a href=\"https://doi.org/10.1103/physreve.97.062210\">https://doi.org/10.1103/physreve.97.062210</a>.","ieee":"R. Driben, V. V. Konotop, B. A. Malomed, T. Meier, and A. V. Yulin, “Nonlinearity-induced localization in a periodically driven semidiscrete system,” <i>Physical Review E</i>, vol. 97, no. 6, 2018, doi: <a href=\"https://doi.org/10.1103/physreve.97.062210\">10.1103/physreve.97.062210</a>.","ama":"Driben R, Konotop VV, Malomed BA, Meier T, Yulin AV. Nonlinearity-induced localization in a periodically driven semidiscrete system. <i>Physical Review E</i>. 2018;97(6). doi:<a href=\"https://doi.org/10.1103/physreve.97.062210\">10.1103/physreve.97.062210</a>","mla":"Driben, R., et al. “Nonlinearity-Induced Localization in a Periodically Driven Semidiscrete System.” <i>Physical Review E</i>, vol. 97, no. 6, 2018, doi:<a href=\"https://doi.org/10.1103/physreve.97.062210\">10.1103/physreve.97.062210</a>.","short":"R. Driben, V.V. Konotop, B.A. Malomed, T. Meier, A.V. Yulin, Physical Review E 97 (2018).","bibtex":"@article{Driben_Konotop_Malomed_Meier_Yulin_2018, title={Nonlinearity-induced localization in a periodically driven semidiscrete system}, volume={97}, DOI={<a href=\"https://doi.org/10.1103/physreve.97.062210\">10.1103/physreve.97.062210</a>}, number={6}, journal={Physical Review E}, author={Driben, R. and Konotop, V. V. and Malomed, B. A. and Meier, Torsten and Yulin, A. V.}, year={2018} }","apa":"Driben, R., Konotop, V. V., Malomed, B. A., Meier, T., &#38; Yulin, A. V. (2018). Nonlinearity-induced localization in a periodically driven semidiscrete system. <i>Physical Review E</i>, <i>97</i>(6). <a href=\"https://doi.org/10.1103/physreve.97.062210\">https://doi.org/10.1103/physreve.97.062210</a>"}},{"language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"306"},{"_id":"304"},{"_id":"35"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13405","status":"public","type":"journal_article","publication":"Journal of Computational Chemistry","doi":"10.1002/jcc.25641","title":"Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes","author":[{"last_name":"Müller","full_name":"Müller, Patrick","first_name":"Patrick"},{"full_name":"Karhan, Kristof","last_name":"Karhan","first_name":"Kristof"},{"full_name":"Krack, Matthias","last_name":"Krack","first_name":"Matthias"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Matthias","last_name":"Bauer","full_name":"Bauer, Matthias"},{"first_name":"Thomas D.","last_name":"Kühne","full_name":"Kühne, Thomas D."}],"date_created":"2019-09-20T10:59:43Z","date_updated":"2023-04-20T14:24:11Z","citation":{"ieee":"P. Müller <i>et al.</i>, “Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes,” <i>Journal of Computational Chemistry</i>, pp. 712–716, 2018, doi: <a href=\"https://doi.org/10.1002/jcc.25641\">10.1002/jcc.25641</a>.","chicago":"Müller, Patrick, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, and Thomas D. Kühne. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.” <i>Journal of Computational Chemistry</i>, 2018, 712–16. <a href=\"https://doi.org/10.1002/jcc.25641\">https://doi.org/10.1002/jcc.25641</a>.","ama":"Müller P, Karhan K, Krack M, et al. Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. <i>Journal of Computational Chemistry</i>. Published online 2018:712-716. doi:<a href=\"https://doi.org/10.1002/jcc.25641\">10.1002/jcc.25641</a>","apa":"Müller, P., Karhan, K., Krack, M., Gerstmann, U., Schmidt, W. G., Bauer, M., &#38; Kühne, T. D. (2018). Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. <i>Journal of Computational Chemistry</i>, 712–716. <a href=\"https://doi.org/10.1002/jcc.25641\">https://doi.org/10.1002/jcc.25641</a>","mla":"Müller, Patrick, et al. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.” <i>Journal of Computational Chemistry</i>, 2018, pp. 712–16, doi:<a href=\"https://doi.org/10.1002/jcc.25641\">10.1002/jcc.25641</a>.","bibtex":"@article{Müller_Karhan_Krack_Gerstmann_Schmidt_Bauer_Kühne_2018, title={Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes}, DOI={<a href=\"https://doi.org/10.1002/jcc.25641\">10.1002/jcc.25641</a>}, journal={Journal of Computational Chemistry}, author={Müller, Patrick and Karhan, Kristof and Krack, Matthias and Gerstmann, Uwe and Schmidt, Wolf Gero and Bauer, Matthias and Kühne, Thomas D.}, year={2018}, pages={712–716} }","short":"P. Müller, K. Karhan, M. Krack, U. Gerstmann, W.G. Schmidt, M. Bauer, T.D. Kühne, Journal of Computational Chemistry (2018) 712–716."},"page":"712-716","year":"2018","publication_status":"published","publication_identifier":{"issn":["0192-8651"]}}]