--- _id: '8426' abstract: - lang: eng text: "A central tenet of theoretical cryptography is the study of the minimal assumptions required to implement a given cryptographic primitive. One such primitive is the one-time memory (OTM), introduced by Goldwasser, Kalai, and Rothblum [CRYPTO 2008], which is a classical functionality modeled after a non-interactive 1-out-of-2 oblivious transfer, and which is complete for one-time classical and quantum programs. It is known that secure OTMs do not exist in the standard model in both the classical and quantum settings. \r\n\r\nHere, we propose a scheme for using quantum information, together with the assumption of stateless (i.e., reusable) hardware tokens, to build statistically secure OTMs. Via the semidefinite programming-based quantum games framework of Gutoski and Watrous [STOC 2007], we prove security for a malicious receiver, against a linear number of adaptive queries to the token, in the quantum universal composability framework. We prove stand-alone security against a malicious sender, but leave open the question of composable security against a malicious sender, as well as security against a malicious receiver making a polynomial number of adaptive queries. Compared to alternative schemes derived from the literature on quantum money, our scheme is technologically simple since it is of the \"prepare-and measure\" type. We also show our scheme is \"tight\" according to two scenarios." author: - first_name: Anne full_name: Broadbent, Anne last_name: Broadbent - first_name: Sevag full_name: Gharibian, Sevag id: '71541' last_name: Gharibian orcid: 0000-0002-9992-3379 - first_name: Hong-Sheng full_name: Zhou, Hong-Sheng last_name: Zhou citation: ama: 'Broadbent A, Gharibian S, Zhou H-S. Towards Quantum One-Time Memories from Stateless Hardware. In: Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC). Vol 158. Leibniz International Proceedings in Informatics (LIPIcs); 2020:6:1-6:25.' apa: Broadbent, A., Gharibian, S., & Zhou, H.-S. (2020). Towards Quantum One-Time Memories from Stateless Hardware. Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC), 158, 6:1-6:25. bibtex: '@inproceedings{Broadbent_Gharibian_Zhou_2020, title={Towards Quantum One-Time Memories from Stateless Hardware}, volume={158}, booktitle={Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC)}, publisher={Leibniz International Proceedings in Informatics (LIPIcs)}, author={Broadbent, Anne and Gharibian, Sevag and Zhou, Hong-Sheng}, year={2020}, pages={6:1-6:25} }' chicago: Broadbent, Anne, Sevag Gharibian, and Hong-Sheng Zhou. “Towards Quantum One-Time Memories from Stateless Hardware.” In Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC), 158:6:1-6:25. Leibniz International Proceedings in Informatics (LIPIcs), 2020. ieee: A. Broadbent, S. Gharibian, and H.-S. Zhou, “Towards Quantum One-Time Memories from Stateless Hardware,” in Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC), 2020, vol. 158, p. 6:1-6:25. mla: Broadbent, Anne, et al. “Towards Quantum One-Time Memories from Stateless Hardware.” Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC), vol. 158, Leibniz International Proceedings in Informatics (LIPIcs), 2020, p. 6:1-6:25. short: 'A. Broadbent, S. Gharibian, H.-S. Zhou, in: Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC), Leibniz International Proceedings in Informatics (LIPIcs), 2020, p. 6:1-6:25.' date_created: 2019-03-06T14:37:09Z date_updated: 2023-02-28T10:59:55Z department: - _id: '623' - _id: '7' external_id: arxiv: - '1810.05226' intvolume: ' 158' language: - iso: eng main_file_link: - url: https://arxiv.org/abs/1810.05226 page: 6:1-6:25 publication: Proceedings of the 15th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC) publication_status: published publisher: Leibniz International Proceedings in Informatics (LIPIcs) status: public title: Towards Quantum One-Time Memories from Stateless Hardware type: conference user_id: '71541' volume: 158 year: '2020' ... --- _id: '16927' author: - first_name: Sevag full_name: Gharibian, Sevag id: '71541' last_name: Gharibian orcid: 0000-0002-9992-3379 - first_name: Marco full_name: Aldi, Marco last_name: Aldi - first_name: Niel full_name: de Beaudrap, Niel last_name: de Beaudrap - first_name: Seyran full_name: Saeedi, Seyran last_name: Saeedi citation: ama: Gharibian S, Aldi M, de Beaudrap N, Saeedi S. On efficiently solvable cases of Quantum k-SAT. Communications in Mathematical Physics. Published online 2020. apa: Gharibian, S., Aldi, M., de Beaudrap, N., & Saeedi, S. (2020). On efficiently solvable cases of Quantum k-SAT. Communications in Mathematical Physics. bibtex: '@article{Gharibian_Aldi_de Beaudrap_Saeedi_2020, title={On efficiently solvable cases of Quantum k-SAT}, journal={Communications in Mathematical Physics}, author={Gharibian, Sevag and Aldi, Marco and de Beaudrap, Niel and Saeedi, Seyran}, year={2020} }' chicago: Gharibian, Sevag, Marco Aldi, Niel de Beaudrap, and Seyran Saeedi. “On Efficiently Solvable Cases of Quantum K-SAT.” Communications in Mathematical Physics, 2020. ieee: S. Gharibian, M. Aldi, N. de Beaudrap, and S. Saeedi, “On efficiently solvable cases of Quantum k-SAT,” Communications in Mathematical Physics, 2020. mla: Gharibian, Sevag, et al. “On Efficiently Solvable Cases of Quantum K-SAT.” Communications in Mathematical Physics, 2020. short: S. Gharibian, M. Aldi, N. de Beaudrap, S. Saeedi, Communications in Mathematical Physics (2020). date_created: 2020-04-30T07:12:00Z date_updated: 2023-02-28T11:05:17Z department: - _id: '623' - _id: '7' external_id: arxiv: - '1712.09617' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1007/s00220-020-03843-9 oa: '1' publication: Communications in Mathematical Physics publication_status: published status: public title: On efficiently solvable cases of Quantum k-SAT type: journal_article user_id: '71541' year: '2020' ... --- _id: '40233' article_number: '2000463' author: - first_name: Lukas full_name: Meier, Lukas last_name: Meier - first_name: Christian full_name: Braun, Christian last_name: Braun - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Meier L, Braun C, Hannappel T, Schmidt WG. Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations. physica status solidi (b). 2020;258(2). doi:10.1002/pssb.202000463 apa: Meier, L., Braun, C., Hannappel, T., & Schmidt, W. G. (2020). Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations. Physica Status Solidi (b), 258(2), Article 2000463. https://doi.org/10.1002/pssb.202000463 bibtex: '@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, volume={258}, DOI={10.1002/pssb.202000463}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }' chicago: Meier, Lukas, Christian Braun, Thomas Hannappel, and Wolf Gero Schmidt. “Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b) 258, no. 2 (2020). https://doi.org/10.1002/pssb.202000463. ieee: 'L. Meier, C. Braun, T. Hannappel, and W. G. Schmidt, “Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations,” physica status solidi (b), vol. 258, no. 2, Art. no. 2000463, 2020, doi: 10.1002/pssb.202000463.' mla: Meier, Lukas, et al. “Band Alignment at Ga                          x                        In                          1–              x                        P/Al                          y                        In                          1–              y                        P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b), vol. 258, no. 2, 2000463, Wiley, 2020, doi:10.1002/pssb.202000463. short: L. Meier, C. Braun, T. Hannappel, W.G. Schmidt, Physica Status Solidi (b) 258 (2020). date_created: 2023-01-26T09:33:46Z date_updated: 2023-04-20T14:18:36Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' doi: 10.1002/pssb.202000463 intvolume: ' 258' issue: '2' keyword: - Condensed Matter Physics - Electronic - Optical and Magnetic Materials language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: physica status solidi (b) publication_identifier: issn: - 0370-1972 - 1521-3951 publication_status: published publisher: Wiley status: public title: Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations type: journal_article user_id: '16199' volume: 258 year: '2020' ... --- _id: '17067' article_number: '100480' author: - first_name: Eugen full_name: Speiser, Eugen last_name: Speiser - first_name: Norbert full_name: Esser, Norbert last_name: Esser - first_name: Benedikt full_name: Halbig, Benedikt last_name: Halbig - first_name: Jean full_name: Geurts, Jean last_name: Geurts - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Simone full_name: Sanna, Simone last_name: Sanna citation: ama: Speiser E, Esser N, Halbig B, Geurts J, Schmidt WG, Sanna S. Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports. 2020;75(1). doi:10.1016/j.surfrep.2020.100480 apa: Speiser, E., Esser, N., Halbig, B., Geurts, J., Schmidt, W. G., & Sanna, S. (2020). Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports, 75(1), Article 100480. https://doi.org/10.1016/j.surfrep.2020.100480 bibtex: '@article{Speiser_Esser_Halbig_Geurts_Schmidt_Sanna_2020, title={Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}, volume={75}, DOI={10.1016/j.surfrep.2020.100480}, number={1100480}, journal={Surface Science Reports}, author={Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}, year={2020} }' chicago: Speiser, Eugen, Norbert Esser, Benedikt Halbig, Jean Geurts, Wolf Gero Schmidt, and Simone Sanna. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports 75, no. 1 (2020). https://doi.org/10.1016/j.surfrep.2020.100480. ieee: 'E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” Surface Science Reports, vol. 75, no. 1, Art. no. 100480, 2020, doi: 10.1016/j.surfrep.2020.100480.' mla: Speiser, Eugen, et al. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports, vol. 75, no. 1, 100480, 2020, doi:10.1016/j.surfrep.2020.100480. short: E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020). date_created: 2020-05-29T09:52:49Z date_updated: 2023-04-20T14:17:42Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '429' - _id: '230' - _id: '35' doi: 10.1016/j.surfrep.2020.100480 intvolume: ' 75' issue: '1' language: - iso: eng 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: '53' name: 'TRR 142: TRR 142' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '69' name: 'TRR 142 - B4: TRR 142 - Subproject B4' publication: Surface Science Reports publication_identifier: issn: - 0167-5729 publication_status: published status: public title: Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures type: journal_article user_id: '16199' volume: 75 year: '2020' ... --- _id: '26294' author: - first_name: Jan full_name: Sperling, Jan id: '75127' last_name: Sperling orcid: 0000-0002-5844-3205 - first_name: D. S. full_name: Phillips, D. S. last_name: Phillips - first_name: J. F. F full_name: Bulmer, J. F. F last_name: Bulmer - first_name: G. S. full_name: Thekkadath, G. S. last_name: Thekkadath - first_name: A. full_name: Eckstein, A. last_name: Eckstein - first_name: T. A. W. full_name: Wolterink, T. A. W. last_name: Wolterink - first_name: J. full_name: Lugani, J. last_name: Lugani - first_name: S. W. full_name: Nam, S. W. last_name: Nam - first_name: A. full_name: Lita, A. last_name: Lita - first_name: T. full_name: Gerrits, T. last_name: Gerrits - first_name: W. full_name: Vogel, W. last_name: Vogel - first_name: G. S. full_name: Agarwal, G. S. last_name: Agarwal - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn - first_name: I. A. full_name: Walmsley, I. A. last_name: Walmsley citation: ama: Sperling J, Phillips DS, Bulmer JFF, et al. Detector-Agnostic Phase-Space Distributions. Physical Review Letters. Published online 2020. doi:10.1103/physrevlett.124.013605 apa: Sperling, J., Phillips, D. S., Bulmer, J. F. F., Thekkadath, G. S., Eckstein, A., Wolterink, T. A. W., Lugani, J., Nam, S. W., Lita, A., Gerrits, T., Vogel, W., Agarwal, G. S., Silberhorn, C., & Walmsley, I. A. (2020). Detector-Agnostic Phase-Space Distributions. Physical Review Letters. https://doi.org/10.1103/physrevlett.124.013605 bibtex: '@article{Sperling_Phillips_Bulmer_Thekkadath_Eckstein_Wolterink_Lugani_Nam_Lita_Gerrits_et al._2020, title={Detector-Agnostic Phase-Space Distributions}, DOI={10.1103/physrevlett.124.013605}, journal={Physical Review Letters}, author={Sperling, Jan and Phillips, D. S. and Bulmer, J. F. F and Thekkadath, G. S. and Eckstein, A. and Wolterink, T. A. W. and Lugani, J. and Nam, S. W. and Lita, A. and Gerrits, T. and et al.}, year={2020} }' chicago: Sperling, Jan, D. S. Phillips, J. F. F Bulmer, G. S. Thekkadath, A. Eckstein, T. A. W. Wolterink, J. Lugani, et al. “Detector-Agnostic Phase-Space Distributions.” Physical Review Letters, 2020. https://doi.org/10.1103/physrevlett.124.013605. ieee: 'J. Sperling et al., “Detector-Agnostic Phase-Space Distributions,” Physical Review Letters, 2020, doi: 10.1103/physrevlett.124.013605.' mla: Sperling, Jan, et al. “Detector-Agnostic Phase-Space Distributions.” Physical Review Letters, 2020, doi:10.1103/physrevlett.124.013605. short: J. Sperling, D.S. Phillips, J.F.F. Bulmer, G.S. Thekkadath, A. Eckstein, T.A.W. Wolterink, J. Lugani, S.W. Nam, A. Lita, T. Gerrits, W. Vogel, G.S. Agarwal, C. Silberhorn, I.A. Walmsley, Physical Review Letters (2020). date_created: 2021-10-15T16:14:39Z date_updated: 2023-04-20T15:12:06Z department: - _id: '15' - _id: '170' - _id: '706' - _id: '288' - _id: '230' - _id: '35' doi: 10.1103/physrevlett.124.013605 language: - iso: eng publication: Physical Review Letters publication_identifier: issn: - 0031-9007 - 1079-7114 publication_status: published status: public title: Detector-Agnostic Phase-Space Distributions type: journal_article user_id: '16199' year: '2020' ... --- _id: '21023' article_number: '023712' author: - first_name: M. full_name: Engelkemeier, M. last_name: Engelkemeier - first_name: L. full_name: Lorz, L. last_name: Lorz - first_name: Syamsundar full_name: De, Syamsundar last_name: De - first_name: Benjamin full_name: Brecht, Benjamin id: '27150' last_name: Brecht orcid: '0000-0003-4140-0556 ' - first_name: I. full_name: Dhand, I. last_name: Dhand - first_name: M. B. full_name: Plenio, M. B. last_name: Plenio - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn - first_name: Jan full_name: Sperling, Jan id: '75127' last_name: Sperling orcid: 0000-0002-5844-3205 citation: ama: Engelkemeier M, Lorz L, De S, et al. Quantum photonics with active feedback loops. Physical Review A. 2020;102. doi:10.1103/physreva.102.023712 apa: Engelkemeier, M., Lorz, L., De, S., Brecht, B., Dhand, I., Plenio, M. B., Silberhorn, C., & Sperling, J. (2020). Quantum photonics with active feedback loops. Physical Review A, 102, Article 023712. https://doi.org/10.1103/physreva.102.023712 bibtex: '@article{Engelkemeier_Lorz_De_Brecht_Dhand_Plenio_Silberhorn_Sperling_2020, title={Quantum photonics with active feedback loops}, volume={102}, DOI={10.1103/physreva.102.023712}, number={023712}, journal={Physical Review A}, author={Engelkemeier, M. and Lorz, L. and De, Syamsundar and Brecht, Benjamin and Dhand, I. and Plenio, M. B. and Silberhorn, Christine and Sperling, Jan}, year={2020} }' chicago: Engelkemeier, M., L. Lorz, Syamsundar De, Benjamin Brecht, I. Dhand, M. B. Plenio, Christine Silberhorn, and Jan Sperling. “Quantum Photonics with Active Feedback Loops.” Physical Review A 102 (2020). https://doi.org/10.1103/physreva.102.023712. ieee: 'M. Engelkemeier et al., “Quantum photonics with active feedback loops,” Physical Review A, vol. 102, Art. no. 023712, 2020, doi: 10.1103/physreva.102.023712.' mla: Engelkemeier, M., et al. “Quantum Photonics with Active Feedback Loops.” Physical Review A, vol. 102, 023712, 2020, doi:10.1103/physreva.102.023712. short: M. Engelkemeier, L. Lorz, S. De, B. Brecht, I. Dhand, M.B. Plenio, C. Silberhorn, J. Sperling, Physical Review A 102 (2020). date_created: 2021-01-20T08:32:40Z date_updated: 2023-04-20T15:08:56Z department: - _id: '15' - _id: '170' - _id: '706' - _id: '288' - _id: '230' - _id: '35' doi: 10.1103/physreva.102.023712 intvolume: ' 102' language: - iso: eng publication: Physical Review A publication_identifier: issn: - 2469-9926 - 2469-9934 publication_status: published status: public title: Quantum photonics with active feedback loops type: journal_article user_id: '16199' volume: 102 year: '2020' ... --- _id: '26289' author: - first_name: Thomas full_name: Nitsche, Thomas last_name: Nitsche - first_name: Syamsundar full_name: De, Syamsundar last_name: De - first_name: Sonja full_name: Barkhofen, Sonja id: '48188' last_name: Barkhofen - first_name: Evan full_name: Meyer-Scott, Evan last_name: Meyer-Scott - first_name: Johannes full_name: Tiedau, Johannes last_name: Tiedau - first_name: Jan full_name: Sperling, Jan id: '75127' last_name: Sperling orcid: 0000-0002-5844-3205 - first_name: Aurél full_name: Gábris, Aurél last_name: Gábris - first_name: Igor full_name: Jex, Igor last_name: Jex - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn citation: ama: Nitsche T, De S, Barkhofen S, et al. Local Versus Global Two-Photon Interference in Quantum Networks. Physical Review Letters. Published online 2020. doi:10.1103/physrevlett.125.213604 apa: Nitsche, T., De, S., Barkhofen, S., Meyer-Scott, E., Tiedau, J., Sperling, J., Gábris, A., Jex, I., & Silberhorn, C. (2020). Local Versus Global Two-Photon Interference in Quantum Networks. Physical Review Letters. https://doi.org/10.1103/physrevlett.125.213604 bibtex: '@article{Nitsche_De_Barkhofen_Meyer-Scott_Tiedau_Sperling_Gábris_Jex_Silberhorn_2020, title={Local Versus Global Two-Photon Interference in Quantum Networks}, DOI={10.1103/physrevlett.125.213604}, journal={Physical Review Letters}, author={Nitsche, Thomas and De, Syamsundar and Barkhofen, Sonja and Meyer-Scott, Evan and Tiedau, Johannes and Sperling, Jan and Gábris, Aurél and Jex, Igor and Silberhorn, Christine}, year={2020} }' chicago: Nitsche, Thomas, Syamsundar De, Sonja Barkhofen, Evan Meyer-Scott, Johannes Tiedau, Jan Sperling, Aurél Gábris, Igor Jex, and Christine Silberhorn. “Local Versus Global Two-Photon Interference in Quantum Networks.” Physical Review Letters, 2020. https://doi.org/10.1103/physrevlett.125.213604. ieee: 'T. Nitsche et al., “Local Versus Global Two-Photon Interference in Quantum Networks,” Physical Review Letters, 2020, doi: 10.1103/physrevlett.125.213604.' mla: Nitsche, Thomas, et al. “Local Versus Global Two-Photon Interference in Quantum Networks.” Physical Review Letters, 2020, doi:10.1103/physrevlett.125.213604. short: T. Nitsche, S. De, S. Barkhofen, E. Meyer-Scott, J. Tiedau, J. Sperling, A. Gábris, I. Jex, C. Silberhorn, Physical Review Letters (2020). date_created: 2021-10-15T16:09:30Z date_updated: 2023-04-20T15:06:42Z department: - _id: '15' - _id: '170' - _id: '706' - _id: '288' - _id: '230' - _id: '623' - _id: '35' doi: 10.1103/physrevlett.125.213604 language: - iso: eng publication: Physical Review Letters publication_identifier: issn: - 0031-9007 - 1079-7114 publication_status: published status: public title: Local Versus Global Two-Photon Interference in Quantum Networks type: journal_article user_id: '16199' year: '2020' ... --- _id: '40435' abstract: - lang: eng text:

Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.

author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Schumacher S. Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C. 2020;8(34):11929-11935. doi:10.1039/d0tc02185g apa: Dong, C.-D., & Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C, 8(34), 11929–11935. https://doi.org/10.1039/d0tc02185g bibtex: '@article{Dong_Schumacher_2020, title={Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}, volume={8}, DOI={10.1039/d0tc02185g}, number={34}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2020}, pages={11929–11935} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C 8, no. 34 (2020): 11929–35. https://doi.org/10.1039/d0tc02185g.' ieee: 'C.-D. Dong and S. Schumacher, “Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding,” Journal of Materials Chemistry C, vol. 8, no. 34, pp. 11929–11935, 2020, doi: 10.1039/d0tc02185g.' mla: Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C, vol. 8, no. 34, Royal Society of Chemistry (RSC), 2020, pp. 11929–35, doi:10.1039/d0tc02185g. short: C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 8 (2020) 11929–11935. date_created: 2023-01-26T16:01:22Z date_updated: 2023-04-20T15:39:34Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1039/d0tc02185g intvolume: ' 8' issue: '34' keyword: - Materials Chemistry - General Chemistry language: - iso: eng page: 11929-11935 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Journal of Materials Chemistry C publication_identifier: issn: - 2050-7526 - 2050-7534 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding type: journal_article user_id: '16199' volume: 8 year: '2020' ... --- _id: '20582' article_type: original author: - first_name: Bernd full_name: Berger, Bernd last_name: Berger - first_name: Daniel full_name: Schmidt, Daniel last_name: Schmidt - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Christian full_name: Schneider, Christian last_name: Schneider - first_name: Sven full_name: Höfling, Sven last_name: Höfling - first_name: Marc full_name: Assmann, Marc last_name: Assmann citation: ama: Berger B, Schmidt D, Ma X, et al. Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. Physical Review B. 2020;101(24):245309. doi:10.1103/PhysRevB.101.245309 apa: Berger, B., Schmidt, D., Ma, X., Schumacher, S., Schneider, C., Höfling, S., & Assmann, M. (2020). Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping. Physical Review B, 101(24), 245309. https://doi.org/10.1103/PhysRevB.101.245309 bibtex: '@article{Berger_Schmidt_Ma_Schumacher_Schneider_Höfling_Assmann_2020, title={Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}, volume={101}, DOI={10.1103/PhysRevB.101.245309}, number={24}, journal={Physical Review B}, publisher={American Physical Society}, author={Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}, year={2020}, pages={245309} }' chicago: 'Berger, Bernd, Daniel Schmidt, Xuekai Ma, Stefan Schumacher, Christian Schneider, Sven Höfling, and Marc Assmann. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” Physical Review B 101, no. 24 (2020): 245309. https://doi.org/10.1103/PhysRevB.101.245309.' ieee: 'B. Berger et al., “Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping,” Physical Review B, vol. 101, no. 24, p. 245309, 2020, doi: 10.1103/PhysRevB.101.245309.' mla: Berger, Bernd, et al. “Formation Dynamics of Exciton-Polariton Vortices Created by Nonresonant Annular Pumping.” Physical Review B, vol. 101, no. 24, American Physical Society, 2020, p. 245309, doi:10.1103/PhysRevB.101.245309. short: B. Berger, D. Schmidt, X. Ma, S. Schumacher, C. Schneider, S. Höfling, M. Assmann, Physical Review B 101 (2020) 245309. date_created: 2020-12-02T09:10:54Z date_updated: 2023-04-20T15:40:33Z department: - _id: '170' - _id: '230' - _id: '429' - _id: '15' - _id: '297' - _id: '705' - _id: '35' doi: 10.1103/PhysRevB.101.245309 intvolume: ' 101' issue: '24' language: - iso: eng page: '245309' project: - _id: '53' name: TRR 142 - _id: '54' name: TRR 142 - Project Area A - _id: '61' name: TRR 142 - Subproject A4 publication: Physical Review B publication_status: published publisher: American Physical Society status: public title: Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping type: journal_article user_id: '16199' volume: 101 year: '2020' ... --- _id: '40443' article_number: '012207' author: - first_name: Matthias full_name: Pukrop, Matthias last_name: Pukrop - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Pukrop M, Schumacher S. Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. Physical Review E. 2020;101(1). doi:10.1103/physreve.101.012207 apa: Pukrop, M., & Schumacher, S. (2020). Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. Physical Review E, 101(1), Article 012207. https://doi.org/10.1103/physreve.101.012207 bibtex: '@article{Pukrop_Schumacher_2020, title={Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}, volume={101}, DOI={10.1103/physreve.101.012207}, number={1012207}, journal={Physical Review E}, publisher={American Physical Society (APS)}, author={Pukrop, Matthias and Schumacher, Stefan}, year={2020} }' chicago: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” Physical Review E 101, no. 1 (2020). https://doi.org/10.1103/physreve.101.012207. ieee: 'M. Pukrop and S. Schumacher, “Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid,” Physical Review E, vol. 101, no. 1, Art. no. 012207, 2020, doi: 10.1103/physreve.101.012207.' mla: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid.” Physical Review E, vol. 101, no. 1, 012207, American Physical Society (APS), 2020, doi:10.1103/physreve.101.012207. short: M. Pukrop, S. Schumacher, Physical Review E 101 (2020). date_created: 2023-01-26T16:09:04Z date_updated: 2023-04-20T15:40:00Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1103/physreve.101.012207 intvolume: ' 101' issue: '1' language: - iso: eng publication: Physical Review E publication_identifier: issn: - 2470-0045 - 2470-0053 publication_status: published publisher: American Physical Society (APS) status: public title: Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid type: journal_article user_id: '16199' volume: 101 year: '2020' ... --- _id: '19190' abstract: - lang: eng text: "Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound \r\npolarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at \r\nNb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons." article_number: '043002' article_type: original author: - first_name: Falko full_name: Schmidt, Falko id: '35251' last_name: Schmidt orcid: 0000-0002-5071-5528 - first_name: Agnieszka L. full_name: Kozub, Agnieszka L. id: '77566' last_name: Kozub orcid: https://orcid.org/0000-0001-6584-0201 - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Christof full_name: Eigner, Christof id: '13244' last_name: Eigner orcid: https://orcid.org/0000-0002-5693-3083 - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Schmidt F, Kozub AL, Biktagirov T, et al. Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research. 2020;2(4). doi:10.1103/PhysRevResearch.2.043002' apa: 'Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., & Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research, 2(4), Article 043002. https://doi.org/10.1103/PhysRevResearch.2.043002' bibtex: '@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={10.1103/PhysRevResearch.2.043002}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }' chicago: 'Schmidt, Falko, Agnieszka L. Kozub, Timur Biktagirov, Christof Eigner, Christine Silberhorn, Arno Schindlmayr, Wolf Gero Schmidt, and Uwe Gerstmann. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research 2, no. 4 (2020). https://doi.org/10.1103/PhysRevResearch.2.043002.' ieee: 'F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.' mla: 'Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:10.1103/PhysRevResearch.2.043002.' short: F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020). date_created: 2020-09-09T09:35:21Z date_updated: 2023-04-20T16:06:21Z ddc: - '530' department: - _id: '296' - _id: '230' - _id: '429' - _id: '295' - _id: '288' - _id: '15' - _id: '170' - _id: '35' - _id: '790' doi: 10.1103/PhysRevResearch.2.043002 external_id: isi: - '000604206300002' file: - access_level: open_access content_type: application/pdf creator: schindlm date_created: 2020-10-02T07:27:38Z date_updated: 2020-10-02T07:37:24Z description: Creative Commons Attribution 4.0 International Public License (CC BY 4.0) file_id: '19843' file_name: PhysRevResearch.2.043002.pdf file_size: 1955183 relation: main_file title: 'Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations' file_date_updated: 2020-10-02T07:37:24Z has_accepted_license: '1' intvolume: ' 2' isi: '1' issue: '4' language: - iso: eng oa: '1' project: - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '69' name: TRR 142 - Subproject B4 - _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' publication: Physical Review Research publication_identifier: eissn: - 2643-1564 publication_status: published publisher: American Physical Society quality_controlled: '1' status: public title: 'Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations' type: journal_article user_id: '16199' volume: 2 year: '2020' ... --- _id: '17066' author: - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Paulina full_name: Powroźnik, Paulina last_name: Powroźnik - first_name: Piotr full_name: Pander, Piotr last_name: Pander - first_name: Wiesław full_name: Jakubik, Wiesław last_name: Jakubik - first_name: Fernando B. full_name: Dias, Fernando B. last_name: Dias - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Maciej full_name: Krzywiecki, Maciej last_name: Krzywiecki citation: ama: 'Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry C. 2020;(124):6090-6102. doi:10.1021/acs.jpcc.9b11116' apa: 'Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt, W. G., Gerstmann, U., & Krzywiecki, M. (2020). Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry C, 124, 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116' bibtex: '@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={10.1021/acs.jpcc.9b11116}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }' chicago: 'Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.' ieee: 'H. Aldahhak et al., “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures,” The Journal of Physical Chemistry C, no. 124, pp. 6090–6102, 2020, doi: 10.1021/acs.jpcc.9b11116.' mla: 'Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124, 2020, pp. 6090–102, doi:10.1021/acs.jpcc.9b11116.' short: H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102. date_created: 2020-05-29T09:51:10Z date_updated: 2023-04-20T16:07:15Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acs.jpcc.9b11116 issue: '124' language: - iso: eng page: 6090-6102 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' publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: 'Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures' type: journal_article user_id: '16199' year: '2020' ... --- _id: '17069' author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. 2020;2(2). doi:10.1103/physrevresearch.2.022024' apa: 'Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research, 2(2). https://doi.org/10.1103/physrevresearch.2.022024' bibtex: '@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={10.1103/physrevresearch.2.022024}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }' chicago: 'Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research 2, no. 2 (2020). https://doi.org/10.1103/physrevresearch.2.022024.' ieee: 'T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” Physical Review Research, vol. 2, no. 2, 2020, doi: 10.1103/physrevresearch.2.022024.' mla: 'Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, vol. 2, no. 2, 2020, doi:10.1103/physrevresearch.2.022024.' short: T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020). date_created: 2020-05-29T09:58:08Z date_updated: 2023-04-20T16:05:57Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1103/physrevresearch.2.022024 intvolume: ' 2' issue: '2' language: - iso: eng 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' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published status: public title: 'Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits' type: journal_article user_id: '16199' volume: 2 year: '2020' ... --- _id: '19194' author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. Published online 2020. doi:10.1103/physrevresearch.2.022024' apa: 'Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. https://doi.org/10.1103/physrevresearch.2.022024' bibtex: '@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, DOI={10.1103/physrevresearch.2.022024}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }' chicago: 'Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020. https://doi.org/10.1103/physrevresearch.2.022024.' ieee: 'T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” Physical Review Research, 2020, doi: 10.1103/physrevresearch.2.022024.' mla: 'Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020, doi:10.1103/physrevresearch.2.022024.' short: T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research (2020). date_created: 2020-09-09T09:22:14Z date_updated: 2023-04-20T16:08:20Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1103/physrevresearch.2.022024 language: - iso: eng 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' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published status: public title: 'Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits' type: journal_article user_id: '16199' year: '2020' ... --- _id: '19193' author: - first_name: Jens full_name: Niederhausen, Jens last_name: Niederhausen - first_name: Rowan W. full_name: MacQueen, Rowan W. last_name: MacQueen - first_name: Klaus full_name: Lips, Klaus last_name: Lips - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: Niederhausen J, MacQueen RW, Lips K, Aldahhak H, Schmidt WG, Gerstmann U. Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir. Published online 2020:9099-9113. doi:10.1021/acs.langmuir.0c01154 apa: Niederhausen, J., MacQueen, R. W., Lips, K., Aldahhak, H., Schmidt, W. G., & Gerstmann, U. (2020). Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154 bibtex: '@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={10.1021/acs.langmuir.0c01154}, journal={Langmuir}, author={Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={9099–9113} }' chicago: Niederhausen, Jens, Rowan W. MacQueen, Klaus Lips, Hazem Aldahhak, Wolf Gero Schmidt, and Uwe Gerstmann. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154. ieee: 'J. Niederhausen, R. W. MacQueen, K. Lips, H. Aldahhak, W. G. Schmidt, and U. Gerstmann, “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon,” Langmuir, pp. 9099–9113, 2020, doi: 10.1021/acs.langmuir.0c01154.' mla: Niederhausen, Jens, et al. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, pp. 9099–113, doi:10.1021/acs.langmuir.0c01154. short: J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113. date_created: 2020-09-09T09:18:57Z date_updated: 2023-04-20T16:08:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acs.langmuir.0c01154 language: - iso: eng page: 9099-9113 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' publication: Langmuir publication_identifier: issn: - 0743-7463 - 1520-5827 publication_status: published status: public title: Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon type: journal_article user_id: '16199' year: '2020' ... --- _id: '19654' author: - first_name: Marvin full_name: Krenz, Marvin id: '52309' last_name: Krenz - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Krenz M, Gerstmann U, Schmidt WG. Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. ACS Omega. Published online 2020:24057-24063. doi:10.1021/acsomega.0c03483 apa: Krenz, M., Gerstmann, U., & Schmidt, W. G. (2020). Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory. ACS Omega, 24057–24063. https://doi.org/10.1021/acsomega.0c03483 bibtex: '@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={10.1021/acsomega.0c03483}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }' chicago: Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” ACS Omega, 2020, 24057–63. https://doi.org/10.1021/acsomega.0c03483. ieee: 'M. Krenz, U. Gerstmann, and W. G. Schmidt, “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory,” ACS Omega, pp. 24057–24063, 2020, doi: 10.1021/acsomega.0c03483.' mla: Krenz, Marvin, et al. “Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.” ACS Omega, 2020, pp. 24057–63, doi:10.1021/acsomega.0c03483. short: M. Krenz, U. Gerstmann, W.G. Schmidt, ACS Omega (2020) 24057–24063. date_created: 2020-09-24T11:10:47Z date_updated: 2023-04-20T16:06:43Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1021/acsomega.0c03483 language: - iso: eng page: 24057-24063 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' publication: ACS Omega publication_identifier: issn: - 2470-1343 - 2470-1343 publication_status: published status: public title: Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory type: journal_article user_id: '16199' year: '2020' ... --- _id: '22883' article_number: '082005' author: - first_name: R full_name: Zuo, R last_name: Zuo - first_name: X full_name: Song, X last_name: Song - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 - first_name: W full_name: Yang, W last_name: Yang citation: ama: 'Zuo R, Song X, Meier T, Yang W. Carrier-wave population transfer in semiconductors. Journal of Physics: Conference Series. 2020;1412(8). doi:10.1088/1742-6596/1412/8/082005' apa: 'Zuo, R., Song, X., Meier, T., & Yang, W. (2020). Carrier-wave population transfer in semiconductors. Journal of Physics: Conference Series, 1412(8), Article 082005. https://doi.org/10.1088/1742-6596/1412/8/082005' bibtex: '@article{Zuo_Song_Meier_Yang_2020, title={Carrier-wave population transfer in semiconductors}, volume={1412}, DOI={10.1088/1742-6596/1412/8/082005}, number={8082005}, journal={Journal of Physics: Conference Series}, author={Zuo, R and Song, X and Meier, Torsten and Yang, W}, year={2020} }' chicago: 'Zuo, R, X Song, Torsten Meier, and W Yang. “Carrier-Wave Population Transfer in Semiconductors.” Journal of Physics: Conference Series 1412, no. 8 (2020). https://doi.org/10.1088/1742-6596/1412/8/082005.' ieee: 'R. Zuo, X. Song, T. Meier, and W. Yang, “Carrier-wave population transfer in semiconductors,” Journal of Physics: Conference Series, vol. 1412, no. 8, Art. no. 082005, 2020, doi: 10.1088/1742-6596/1412/8/082005.' mla: 'Zuo, R., et al. “Carrier-Wave Population Transfer in Semiconductors.” Journal of Physics: Conference Series, vol. 1412, no. 8, 082005, 2020, doi:10.1088/1742-6596/1412/8/082005.' short: 'R. Zuo, X. Song, T. Meier, W. Yang, Journal of Physics: Conference Series 1412 (2020).' date_created: 2021-07-29T08:04:10Z date_updated: 2023-04-21T11:24:48Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '230' - _id: '35' doi: 10.1088/1742-6596/1412/8/082005 intvolume: ' 1412' issue: '8' language: - iso: eng 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' publication: 'Journal of Physics: Conference Series' publication_identifier: issn: - 1742-6588 - 1742-6596 publication_status: published status: public title: Carrier-wave population transfer in semiconductors type: journal_article user_id: '16199' volume: 1412 year: '2020' ... --- _id: '40438' abstract: - lang: eng text: Semiconductor microcavities are frequently studied in the context of semiconductor lasers and in application-oriented fundamental research on topics such as linear and nonlinear polariton systems, polariton lasers, polariton pattern formation, and polaritonic Bose–Einstein condensates. A commonly used approach to describe theoretical properties includes a phenomenological single-mode equation that complements the equation for the nonlinear optical response (interband polarization) of the semiconductor. Here, we show how to replace the single-mode equation by a fully predictive transfer function method that, in contrast to the single-mode equation, accounts for propagation, retardation, and pulse-filtering effects of the incident light field traversing the distributed Bragg reflector (DBR) mirrors, without substantially increasing the numerical complexity of the solution. As examples, we use cavities containing GaAs quantum wells and transition-metal dichalcogenides (TMDs). article_number: G112 author: - first_name: M. full_name: Carcamo, M. last_name: Carcamo - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: R. full_name: Binder, R. last_name: Binder citation: ama: Carcamo M, Schumacher S, Binder R. Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling. Applied Optics. 2020;59(22). doi:10.1364/ao.392014 apa: Carcamo, M., Schumacher, S., & Binder, R. (2020). Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling. Applied Optics, 59(22), Article G112. https://doi.org/10.1364/ao.392014 bibtex: '@article{Carcamo_Schumacher_Binder_2020, title={Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling}, volume={59}, DOI={10.1364/ao.392014}, number={22G112}, journal={Applied Optics}, publisher={Optica Publishing Group}, author={Carcamo, M. and Schumacher, Stefan and Binder, R.}, year={2020} }' chicago: Carcamo, M., Stefan Schumacher, and R. Binder. “Transfer Function Replacement of Phenomenological Single-Mode Equations in Semiconductor Microcavity Modeling.” Applied Optics 59, no. 22 (2020). https://doi.org/10.1364/ao.392014. ieee: 'M. Carcamo, S. Schumacher, and R. Binder, “Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling,” Applied Optics, vol. 59, no. 22, Art. no. G112, 2020, doi: 10.1364/ao.392014.' mla: Carcamo, M., et al. “Transfer Function Replacement of Phenomenological Single-Mode Equations in Semiconductor Microcavity Modeling.” Applied Optics, vol. 59, no. 22, G112, Optica Publishing Group, 2020, doi:10.1364/ao.392014. short: M. Carcamo, S. Schumacher, R. Binder, Applied Optics 59 (2020). date_created: 2023-01-26T16:04:00Z date_updated: 2023-04-20T15:42:52Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1364/ao.392014 intvolume: ' 59' issue: '22' keyword: - Atomic and Molecular Physics - and Optics - Engineering (miscellaneous) - Electrical and Electronic Engineering language: - iso: eng publication: Applied Optics publication_identifier: issn: - 1559-128X - 2155-3165 publication_status: published publisher: Optica Publishing Group status: public title: Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling type: journal_article user_id: '16199' volume: 59 year: '2020' ... --- _id: '17070' abstract: - lang: eng text:

EPR spectroscopy reveals the universality class and dynamic effects of the [NH4][Zn(HCOO)3] hybrid formate framework.

author: - first_name: Marius full_name: Navickas, Marius last_name: Navickas - first_name: Laisvydas full_name: Giriūnas, Laisvydas last_name: Giriūnas - first_name: Vidmantas full_name: Kalendra, Vidmantas last_name: Kalendra - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Mirosław full_name: Mączka, Mirosław last_name: Mączka - first_name: Andreas full_name: Pöppl, Andreas last_name: Pöppl - first_name: Jūras full_name: Banys, Jūras last_name: Banys - first_name: Mantas full_name: Šimėnas, Mantas last_name: Šimėnas citation: ama: Navickas M, Giriūnas L, Kalendra V, et al. Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework. Physical Chemistry Chemical Physics. 2020;22:8513-8521. doi:10.1039/d0cp01612h apa: Navickas, M., Giriūnas, L., Kalendra, V., Biktagirov, T., Gerstmann, U., Schmidt, W. G., Mączka, M., Pöppl, A., Banys, J., & Šimėnas, M. (2020). Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework. Physical Chemistry Chemical Physics, 22, 8513–8521. https://doi.org/10.1039/d0cp01612h bibtex: '@article{Navickas_Giriūnas_Kalendra_Biktagirov_Gerstmann_Schmidt_Mączka_Pöppl_Banys_Šimėnas_2020, title={Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework}, volume={22}, DOI={10.1039/d0cp01612h}, journal={Physical Chemistry Chemical Physics}, author={Navickas, Marius and Giriūnas, Laisvydas and Kalendra, Vidmantas and Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero and Mączka, Mirosław and Pöppl, Andreas and Banys, Jūras and Šimėnas, Mantas}, year={2020}, pages={8513–8521} }' chicago: 'Navickas, Marius, Laisvydas Giriūnas, Vidmantas Kalendra, Timur Biktagirov, Uwe Gerstmann, Wolf Gero Schmidt, Mirosław Mączka, Andreas Pöppl, Jūras Banys, and Mantas Šimėnas. “Electron Paramagnetic Resonance Study of Ferroelectric Phase Transition and Dynamic Effects in a Mn2+ Doped [NH4][Zn(HCOO)3] Hybrid Formate Framework.” Physical Chemistry Chemical Physics 22 (2020): 8513–21. https://doi.org/10.1039/d0cp01612h.' ieee: 'M. Navickas et al., “Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework,” Physical Chemistry Chemical Physics, vol. 22, pp. 8513–8521, 2020, doi: 10.1039/d0cp01612h.' mla: Navickas, Marius, et al. “Electron Paramagnetic Resonance Study of Ferroelectric Phase Transition and Dynamic Effects in a Mn2+ Doped [NH4][Zn(HCOO)3] Hybrid Formate Framework.” Physical Chemistry Chemical Physics, vol. 22, 2020, pp. 8513–21, doi:10.1039/d0cp01612h. short: M. Navickas, L. Giriūnas, V. Kalendra, T. Biktagirov, U. Gerstmann, W.G. Schmidt, M. Mączka, A. Pöppl, J. Banys, M. Šimėnas, Physical Chemistry Chemical Physics 22 (2020) 8513–8521. date_created: 2020-05-29T09:59:15Z date_updated: 2023-04-20T16:08:56Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' doi: 10.1039/d0cp01612h intvolume: ' 22' language: - iso: eng page: 8513-8521 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' publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published status: public title: Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework type: journal_article user_id: '16199' volume: 22 year: '2020' ... --- _id: '19189' abstract: - lang: eng text: Density-functional theory calculations of (TiO2)n clusters (n = 1–5) in the gas phase and adsorbed on pristine graphene as well as graphene quantum dots are presented. The cluster adsorption is found to be dominated by van der Waals forces. The electronic structure and in particular the excitation energies of the bare clusters and the TiO2/graphene composites are found to vary largely in dependence on the size of the respective constituents. This holds in particular for the energy and the spatial localization of the highest occupied and lowest unoccupied molecular orbitals. In addition to a substantial gap narrowing, a pronounced separation of photoexcited electrons and holes is predicted in some instances. This is expected to prolong the lifetime of photoexcited carriers. Altogether, TiO2/graphene composites are predicted to be promising photocatalysts with improved electronic and photocatalytic properties compared to bulk TiO2. article_type: original author: - first_name: Sabuhi full_name: Badalov, Sabuhi id: '78800' last_name: Badalov orcid: 0000-0002-8481-4161 - first_name: René full_name: Wilhelm, René last_name: Wilhelm - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Badalov S, Wilhelm R, Schmidt WG. Photocatalytic properties of            graphene‐supported            titania clusters from            density‐functional            theory. Journal of Computational Chemistry. Published online 2020:1921-1930. doi:10.1002/jcc.26363 apa: Badalov, S., Wilhelm, R., & Schmidt, W. G. (2020). Photocatalytic properties of            graphene‐supported            titania clusters from            density‐functional            theory. Journal of Computational Chemistry, 1921–1930. https://doi.org/10.1002/jcc.26363 bibtex: '@article{Badalov_Wilhelm_Schmidt_2020, title={Photocatalytic properties of            graphene‐supported            titania clusters from            density‐functional            theory}, DOI={10.1002/jcc.26363}, journal={Journal of Computational Chemistry}, publisher={Willey}, author={Badalov, Sabuhi and Wilhelm, René and Schmidt, Wolf Gero}, year={2020}, pages={1921–1930} }' chicago: Badalov, Sabuhi, René Wilhelm, and Wolf Gero Schmidt. “Photocatalytic Properties of            Graphene‐supported            Titania Clusters from            Density‐functional            Theory.” Journal of Computational Chemistry, 2020, 1921–30. https://doi.org/10.1002/jcc.26363. ieee: 'S. Badalov, R. Wilhelm, and W. G. Schmidt, “Photocatalytic properties of            graphene‐supported            titania clusters from            density‐functional            theory,” Journal of Computational Chemistry, pp. 1921–1930, 2020, doi: 10.1002/jcc.26363.' mla: Badalov, Sabuhi, et al. “Photocatalytic Properties of            Graphene‐supported            Titania Clusters from            Density‐functional            Theory.” Journal of Computational Chemistry, Willey, 2020, pp. 1921–30, doi:10.1002/jcc.26363. short: S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930. date_created: 2020-09-09T09:16:17Z date_updated: 2023-04-21T09:47:30Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' doi: 10.1002/jcc.26363 language: - iso: eng main_file_link: - open_access: '1' url: https://onlinelibrary.wiley.com/doi/10.1002/jcc.26363 oa: '1' page: 1921-1930 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' publication: Journal of Computational Chemistry publication_identifier: issn: - 0192-8651 - 1096-987X publication_status: published publisher: Willey related_material: link: - relation: supplementary_material url: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fjcc.26363&file=jcc26363-sup-0002-Supinfo.pdf status: public title: Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory type: journal_article user_id: '16199' year: '2020' ...