--- _id: '15851' article_number: '123008' author: - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Yaroslav Y full_name: Kartashov, Yaroslav Y last_name: Kartashov - first_name: Tingge full_name: Gao, Tingge last_name: Gao - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Ma X, Kartashov YY, Gao T, Schumacher S. Controllable high-speed polariton waves in a PT-symmetric lattice. New Journal of Physics. 2019;21. doi:10.1088/1367-2630/ab5a9b apa: Ma, X., Kartashov, Y. Y., Gao, T., & Schumacher, S. (2019). Controllable high-speed polariton waves in a PT-symmetric lattice. New Journal of Physics, 21, Article 123008. https://doi.org/10.1088/1367-2630/ab5a9b bibtex: '@article{Ma_Kartashov_Gao_Schumacher_2019, title={Controllable high-speed polariton waves in a PT-symmetric lattice}, volume={21}, DOI={10.1088/1367-2630/ab5a9b}, number={123008}, journal={New Journal of Physics}, author={Ma, Xuekai and Kartashov, Yaroslav Y and Gao, Tingge and Schumacher, Stefan}, year={2019} }' chicago: Ma, Xuekai, Yaroslav Y Kartashov, Tingge Gao, and Stefan Schumacher. “Controllable High-Speed Polariton Waves in a PT-Symmetric Lattice.” New Journal of Physics 21 (2019). https://doi.org/10.1088/1367-2630/ab5a9b. ieee: 'X. Ma, Y. Y. Kartashov, T. Gao, and S. Schumacher, “Controllable high-speed polariton waves in a PT-symmetric lattice,” New Journal of Physics, vol. 21, Art. no. 123008, 2019, doi: 10.1088/1367-2630/ab5a9b.' mla: Ma, Xuekai, et al. “Controllable High-Speed Polariton Waves in a PT-Symmetric Lattice.” New Journal of Physics, vol. 21, 123008, 2019, doi:10.1088/1367-2630/ab5a9b. short: X. Ma, Y.Y. Kartashov, T. Gao, S. Schumacher, New Journal of Physics 21 (2019). date_created: 2020-02-10T11:35:57Z date_updated: 2025-12-05T13:53:04Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '35' - _id: '27' doi: 10.1088/1367-2630/ab5a9b intvolume: ' 21' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: New Journal of Physics publication_identifier: issn: - 1367-2630 publication_status: published status: public title: Controllable high-speed polariton waves in a PT-symmetric lattice type: journal_article user_id: '16199' volume: 21 year: '2019' ... --- _id: '13340' abstract: - lang: eng text: "Spontaneous formation of transverse patterns is ubiquitous in nonlinear\r\ndynamical systems of all kinds. An aspect of particular interest is the active\r\ncontrol of such patterns. In nonlinear optical systems this can be used for\r\nall-optical switching with transistor-like performance, for example realized\r\nwith polaritons in a planar quantum-well semiconductor microcavity. Here we\r\nfocus on a specific configuration which takes advantage of the intricate\r\npolarization dependencies in the interacting optically driven polariton system.\r\nBesides detailed numerical simulations of the coupled light-field exciton\r\ndynamics, in the present paper we focus on the derivation of a simplified\r\npopulation competition model giving detailed insight into the underlying\r\nmechanisms from a nonlinear dynamical systems perspective. We show that such a\r\nmodel takes the form of a generalized Lotka-Volterra system for two competing\r\npopulations explicitly including a source term that enables external control.\r\nWe present a comprehensive analysis both of the existence and stability of\r\nstationary states in the parameter space spanned by spatial anisotropy and\r\nexternal control strength. We also construct phase boundaries in non-trivial\r\nregions and characterize emerging bifurcations. The population competition\r\nmodel reproduces all key features of the switching observed in full numerical\r\nsimulations of the rather complex semiconductor system and at the same time is\r\nsimple enough for a fully analytical understanding of the system dynamics." 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. arXiv:190312534. Published online 2019. apa: Pukrop, M., & Schumacher, S. (2019). Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized  Polariton Fluid. In arXiv:1903.12534. bibtex: '@article{Pukrop_Schumacher_2019, title={Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized  Polariton Fluid}, journal={arXiv:1903.12534}, author={Pukrop, Matthias and Schumacher, Stefan}, year={2019} }' chicago: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized  Polariton Fluid.” ArXiv:1903.12534, 2019. ieee: M. Pukrop and S. Schumacher, “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized  Polariton Fluid,” arXiv:1903.12534. 2019. mla: Pukrop, Matthias, and Stefan Schumacher. “Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized  Polariton Fluid.” ArXiv:1903.12534, 2019. short: M. Pukrop, S. Schumacher, ArXiv:1903.12534 (2019). date_created: 2019-09-19T13:18:47Z date_updated: 2025-12-05T14:30:36Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: arXiv:1903.12534 status: public title: Externally Controlled Lotka-Volterra Dynamics in a Linearly Polarized Polariton Fluid type: preprint user_id: '16199' year: '2019' ... --- _id: '13347' abstract: - lang: eng text: "<div>\r\n\t\t\t<div>\r\n\t\t\t\t<div>\r\n\t\t\t\t\t<p>Molecular doping in conjugated polymers is a crucial process for their application in organic\r\nphotovoltaics and optoelectronics. In the present work we theoretically investigate p-type molecu-\r\nlar doping in a series of (poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b”]dithiophene)-alt-\r\n4,7-(2,1,3-benzothiadiazole)] (PCPDT-BT) conjugated oligomers with different lengths and three\r\nwidely-used dopants with different electron affinities, namely F4TCNQ, F6TCNNQ, and CN6-CP.\r\nWe study in detail the molecular geometry of possible oligomer-dopant complexes and its influence\r\non the doping mechanisms and electronic system properties. We find that the mechanisms of dop-\r\ning and charge transfer observed sensitively depend on the specific geometry of the oligomer-dopant\r\ncomplexes. For a given complex different geometries may exist, some of which show transfer of\r\nan entire electron from the oligomer chain onto the dopant molecule resulting in an integer-charge\r\ntransfer complex, leaving the system in a ground state with broken spin symmetry. In other ge-\r\nometries merely hybridization of oligomer and dopant frontier orbitals occurs with partial charge\r\ntransfer but spin-symmetric ground state. Considering the resulting electronic density of states both\r\ncases may well contribute to an increased electrical conductivity of corresponding film samples while\r\nthe underlying physical mechanisms are entirely different.\r\n</p>\r\n\t\t\t\t</div>\r\n\t\t\t</div>\r\n\t\t</div>" 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 of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer. Published online 2019.' apa: 'Dong, C.-D., & Schumacher, S. (2019). Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer.' bibtex: '@article{Dong_Schumacher_2019, title={Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2019} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer,” 2019.' ieee: 'C.-D. Dong and S. Schumacher, “Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer.” 2019.' mla: 'Dong, Chuan-Ding, and Stefan Schumacher. Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer. 2019.' short: C.-D. Dong, S. Schumacher, (2019). date_created: 2019-09-19T13:44:34Z date_updated: 2025-12-05T14:31:11Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' 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_status: published status: public title: 'Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer' type: preprint user_id: '16199' year: '2019' ... --- _id: '13343' author: - first_name: Joachim full_name: Vollbrecht, Joachim last_name: Vollbrecht - first_name: Christian full_name: Wiebeler, Christian last_name: Wiebeler - first_name: Harald full_name: Bock, Harald last_name: Bock - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Heinz-Siegfried full_name: Kitzerow, Heinz-Siegfried id: '254' last_name: Kitzerow citation: ama: 'Vollbrecht J, Wiebeler C, Bock H, Schumacher S, Kitzerow H-S. Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis. The Journal of Physical Chemistry C. 2019;123(7):4483-4492. doi:10.1021/acs.jpcc.8b10730' apa: 'Vollbrecht, J., Wiebeler, C., Bock, H., Schumacher, S., & Kitzerow, H.-S. (2019). Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis. The Journal of Physical Chemistry C, 123(7), 4483–4492. https://doi.org/10.1021/acs.jpcc.8b10730' bibtex: '@article{Vollbrecht_Wiebeler_Bock_Schumacher_Kitzerow_2019, title={Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis}, volume={123}, DOI={10.1021/acs.jpcc.8b10730}, number={7}, journal={The Journal of Physical Chemistry C}, author={Vollbrecht, Joachim and Wiebeler, Christian and Bock, Harald and Schumacher, Stefan and Kitzerow, Heinz-Siegfried}, year={2019}, pages={4483–4492} }' chicago: 'Vollbrecht, Joachim, Christian Wiebeler, Harald Bock, Stefan Schumacher, and Heinz-Siegfried Kitzerow. “Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis.” The Journal of Physical Chemistry C 123, no. 7 (2019): 4483–92. https://doi.org/10.1021/acs.jpcc.8b10730.' ieee: 'J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, and H.-S. Kitzerow, “Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis,” The Journal of Physical Chemistry C, vol. 123, no. 7, pp. 4483–4492, 2019, doi: 10.1021/acs.jpcc.8b10730.' mla: 'Vollbrecht, Joachim, et al. “Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis.” The Journal of Physical Chemistry C, vol. 123, no. 7, 2019, pp. 4483–92, doi:10.1021/acs.jpcc.8b10730.' short: J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, H.-S. Kitzerow, The Journal of Physical Chemistry C 123 (2019) 4483–4492. date_created: 2019-09-19T13:36:01Z date_updated: 2025-12-05T14:29:56Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '313' - _id: '230' - _id: '35' - _id: '27' - _id: '2' doi: 10.1021/acs.jpcc.8b10730 intvolume: ' 123' issue: '7' language: - iso: eng page: 4483-4492 project: - _id: '52' name: 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: 'Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis' type: journal_article user_id: '16199' volume: 123 year: '2019' ... --- _id: '20' abstract: - lang: eng text: "Approximate computing has shown to provide new ways to improve performance\r\nand power consumption of error-resilient applications. While many of these\r\napplications can be found in image processing, data classification or machine\r\nlearning, we demonstrate its suitability to a problem from scientific\r\ncomputing. Utilizing the self-correcting behavior of iterative algorithms, we\r\nshow that approximate computing can be applied to the calculation of inverse\r\nmatrix p-th roots which are required in many applications in scientific\r\ncomputing. Results show great opportunities to reduce the computational effort\r\nand bandwidth required for the execution of the discussed algorithm, especially\r\nwhen targeting special accelerator hardware." author: - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Lass M, Kühne T, Plessl C. Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots. Embedded Systems Letters. 2018;10(2):33-36. doi:10.1109/LES.2017.2760923 apa: Lass, M., Kühne, T., & Plessl, C. (2018). Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots. Embedded Systems Letters, 10(2), 33–36. https://doi.org/10.1109/LES.2017.2760923 bibtex: '@article{Lass_Kühne_Plessl_2018, title={Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots}, volume={10}, DOI={10.1109/LES.2017.2760923}, number={2}, journal={Embedded Systems Letters}, publisher={IEEE}, author={Lass, Michael and Kühne, Thomas and Plessl, Christian}, year={2018}, pages={33–36} }' chicago: 'Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing for the Calculation of Inverse Matrix P-Th Roots.” Embedded Systems Letters 10, no. 2 (2018): 33–36. https://doi.org/10.1109/LES.2017.2760923.' ieee: M. Lass, T. Kühne, and C. Plessl, “Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots,” Embedded Systems Letters, vol. 10, no. 2, pp. 33–36, 2018. mla: Lass, Michael, et al. “Using Approximate Computing for the Calculation of Inverse Matrix P-Th Roots.” Embedded Systems Letters, vol. 10, no. 2, IEEE, 2018, pp. 33–36, doi:10.1109/LES.2017.2760923. short: M. Lass, T. Kühne, C. Plessl, Embedded Systems Letters 10 (2018) 33–36. date_created: 2017-07-25T14:41:08Z date_updated: 2022-01-06T06:54:18Z department: - _id: '27' - _id: '518' - _id: '304' doi: 10.1109/LES.2017.2760923 external_id: arxiv: - '1703.02283' intvolume: ' 10' issue: '2' language: - iso: eng page: ' 33-36' project: - _id: '32' grant_number: PL 595/2-1 name: Performance and Efficiency in HPC with Custom Computing - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Embedded Systems Letters publication_identifier: eissn: - 1943-0671 issn: - 1943-0663 publication_status: published publisher: IEEE status: public title: Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots type: journal_article user_id: '16153' volume: 10 year: '2018' ... --- _id: '22' abstract: - lang: eng text: This paper describes a data structure and a heuristic to plan and map arbitrary resources in complex combinations while applying time dependent constraints. The approach is used in the planning based workload manager OpenCCS at the Paderborn Center for Parallel Computing (PC\(^2\)) to operate heterogeneous clusters with up to 10000 cores. We also show performance results derived from four years of operation. author: - first_name: Axel full_name: Keller, Axel id: '15274' last_name: Keller citation: ama: 'Keller A. A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems. In: Klusáček D, Cirne W, Desai N, eds. Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP). Vol 10773. Lecture Notes in Computer Science. Springer; 2018:132-151. doi:10.1007/978-3-319-77398-8_8' apa: 'Keller, A. (2018). A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems. In D. Klusáček, W. Cirne, & N. Desai (Eds.), Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP) (Vol. 10773, pp. 132–151). Orlando, FL, USA: Springer. https://doi.org/10.1007/978-3-319-77398-8_8' bibtex: '@inproceedings{Keller_2018, series={Lecture Notes in Computer Science}, title={A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems}, volume={10773}, DOI={10.1007/978-3-319-77398-8_8}, booktitle={Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP)}, publisher={Springer}, author={Keller, Axel}, editor={Klusáček, D. and Cirne, W. and Desai, N.Editors}, year={2018}, pages={132–151}, collection={Lecture Notes in Computer Science} }' chicago: Keller, Axel. “A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems.” In Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP), edited by D. Klusáček, W. Cirne, and N. Desai, 10773:132–51. Lecture Notes in Computer Science. Springer, 2018. https://doi.org/10.1007/978-3-319-77398-8_8. ieee: A. Keller, “A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems,” in Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP), Orlando, FL, USA, 2018, vol. 10773, pp. 132–151. mla: Keller, Axel. “A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems.” Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP), edited by D. Klusáček et al., vol. 10773, Springer, 2018, pp. 132–51, doi:10.1007/978-3-319-77398-8_8. short: 'A. Keller, in: D. Klusáček, W. Cirne, N. Desai (Eds.), Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP), Springer, 2018, pp. 132–151.' conference: end_date: 2017-06-02 location: Orlando, FL, USA name: 21st Workshop on Job Scheduling Strategies for Parallel Processing start_date: 2017-06-02 date_created: 2017-07-25T14:54:08Z date_updated: 2022-01-06T06:55:22Z department: - _id: '27' doi: 10.1007/978-3-319-77398-8_8 editor: - first_name: D. full_name: Klusáček, D. last_name: Klusáček - first_name: W. full_name: Cirne, W. last_name: Cirne - first_name: N. full_name: Desai, N. last_name: Desai intvolume: ' 10773' keyword: - Scheduling Planning Mapping Workload management language: - iso: eng page: 132-151 publication: Proc. Workshop on Job Scheduling Strategies for Parallel Processing (JSSPP) publication_identifier: isbn: - 978-3-319-77398-8 - 978-3-319-77397-1 publication_status: published publisher: Springer series_title: Lecture Notes in Computer Science status: public title: A Data Structure for Planning Based Workload Management of Heterogeneous HPC Systems type: conference user_id: '15274' volume: 10773 year: '2018' ... --- _id: '5414' author: - first_name: Tasneem full_name: Filmwala, Tasneem last_name: Filmwala citation: ama: Filmwala T. Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate It on FPGA Platform. Universität Paderborn; 2018. apa: Filmwala, T. (2018). Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate it on FPGA Platform. Universität Paderborn. bibtex: '@book{Filmwala_2018, title={Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate it on FPGA Platform}, publisher={Universität Paderborn}, author={Filmwala, Tasneem}, year={2018} }' chicago: Filmwala, Tasneem. Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate It on FPGA Platform. Universität Paderborn, 2018. ieee: T. Filmwala, Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate it on FPGA Platform. Universität Paderborn, 2018. mla: Filmwala, Tasneem. Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate It on FPGA Platform. Universität Paderborn, 2018. short: T. Filmwala, Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate It on FPGA Platform, Universität Paderborn, 2018. date_created: 2018-11-07T15:14:26Z date_updated: 2022-01-06T07:01:52Z department: - _id: '27' - _id: '518' language: - iso: eng project: - _id: '1' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' name: SFB 901 - Subproject C2 publisher: Universität Paderborn status: public supervisor: - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 title: Study Effects of Approximation on Conjugate Gradient Algorithm and Accelerate it on FPGA Platform type: mastersthesis user_id: '477' year: '2018' ... --- _id: '5421' author: - first_name: Onkar full_name: Gadewar, Onkar last_name: Gadewar citation: ama: Gadewar O. Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL. Universität Paderborn; 2018. apa: Gadewar, O. (2018). Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL. Universität Paderborn. bibtex: '@book{Gadewar_2018, title={Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL}, publisher={Universität Paderborn}, author={Gadewar, Onkar}, year={2018} }' chicago: Gadewar, Onkar. Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL. Universität Paderborn, 2018. ieee: O. Gadewar, Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL. Universität Paderborn, 2018. mla: Gadewar, Onkar. Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL. Universität Paderborn, 2018. short: O. Gadewar, Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL, Universität Paderborn, 2018. date_created: 2018-11-07T16:16:56Z date_updated: 2022-01-06T07:01:53Z department: - _id: '27' - _id: '518' language: - iso: eng project: - _id: '1' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' name: SFB 901 - Subproject C2 publisher: Universität Paderborn status: public supervisor: - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 title: Programmable Programs? - Designing FPGA Overlay Architectures with OpenCL type: mastersthesis user_id: '477' year: '2018' ... --- _id: '6516' author: - first_name: Jan Cedric full_name: Mertens, Jan Cedric last_name: Mertens - first_name: Alexander full_name: Boschmann, Alexander last_name: Boschmann - first_name: M. full_name: Schmidt, M. last_name: Schmidt - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Mertens JC, Boschmann A, Schmidt M, Plessl C. Sprint diagnostic with GPS and inertial sensor fusion. Sports Engineering. 2018;21(4):441-451. doi:10.1007/s12283-018-0291-0 apa: Mertens, J. C., Boschmann, A., Schmidt, M., & Plessl, C. (2018). Sprint diagnostic with GPS and inertial sensor fusion. Sports Engineering, 21(4), 441–451. https://doi.org/10.1007/s12283-018-0291-0 bibtex: '@article{Mertens_Boschmann_Schmidt_Plessl_2018, title={Sprint diagnostic with GPS and inertial sensor fusion}, volume={21}, DOI={10.1007/s12283-018-0291-0}, number={4}, journal={Sports Engineering}, publisher={Springer Nature}, author={Mertens, Jan Cedric and Boschmann, Alexander and Schmidt, M. and Plessl, Christian}, year={2018}, pages={441–451} }' chicago: 'Mertens, Jan Cedric, Alexander Boschmann, M. Schmidt, and Christian Plessl. “Sprint Diagnostic with GPS and Inertial Sensor Fusion.” Sports Engineering 21, no. 4 (2018): 441–51. https://doi.org/10.1007/s12283-018-0291-0.' ieee: J. C. Mertens, A. Boschmann, M. Schmidt, and C. Plessl, “Sprint diagnostic with GPS and inertial sensor fusion,” Sports Engineering, vol. 21, no. 4, pp. 441–451, 2018. mla: Mertens, Jan Cedric, et al. “Sprint Diagnostic with GPS and Inertial Sensor Fusion.” Sports Engineering, vol. 21, no. 4, Springer Nature, 2018, pp. 441–51, doi:10.1007/s12283-018-0291-0. short: J.C. Mertens, A. Boschmann, M. Schmidt, C. Plessl, Sports Engineering 21 (2018) 441–451. date_created: 2019-01-08T17:44:43Z date_updated: 2022-01-06T07:03:09Z ddc: - '000' department: - _id: '27' - _id: '518' doi: 10.1007/s12283-018-0291-0 file: - access_level: closed content_type: application/pdf creator: plessl date_created: 2019-01-08T17:47:06Z date_updated: 2019-01-08T17:47:06Z file_id: '6517' file_name: plessl18_sportseng.pdf file_size: 2141021 relation: main_file file_date_updated: 2019-01-08T17:47:06Z has_accepted_license: '1' intvolume: ' 21' issue: '4' language: - iso: eng page: 441-451 publication: Sports Engineering publication_identifier: issn: - 1369-7072 - 1460-2687 publication_status: published publisher: Springer Nature quality_controlled: '1' status: public title: Sprint diagnostic with GPS and inertial sensor fusion type: journal_article user_id: '16153' volume: 21 year: '2018' ... --- _id: '5417' abstract: - lang: eng text: "Molecular Dynamic (MD) simulations are computationally intensive and accelerating them using specialized hardware is a topic of investigation in many studies. One of the routines in the critical path of MD simulations is the three-dimensional Fast Fourier Transformation (FFT3d). The potential in accelerating FFT3d using hardware is usually bound by bandwidth and memory. Therefore, designing a high throughput solution for an FPGA that overcomes this problem is challenging.\r\nIn this thesis, the feasibility of offloading FFT3d computations to FPGA implemented using OpenCL is investigated. In order to mask the latency in memory access, an FFT3d that overlaps computation with communication is designed. The implementa- tion of this design is synthesized for the Arria 10 GX 1150 FPGA and evaluated with the FFTW benchmark. Analysis shows a better performance using FPGA over CPU for larger FFT sizes, with the 643 FFT showing a 70% improvement in runtime using FPGAs.\r\nThis FFT3d design is integrated with CP2K to explore the potential in accelerating molecular dynamic simulations. Evaluation of CP2K simulations using FPGA shows a 41% improvement in runtime in FFT3d computations over CPU for larger FFT3d designs." author: - first_name: Arjun full_name: Ramaswami, Arjun id: '49171' last_name: Ramaswami orcid: https://orcid.org/0000-0002-0909-1178 citation: ama: Ramaswami A. Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA. Universität Paderborn; 2018. apa: Ramaswami, A. (2018). Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA. Universität Paderborn. bibtex: '@book{Ramaswami_2018, title={Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA}, publisher={Universität Paderborn}, author={Ramaswami, Arjun}, year={2018} }' chicago: Ramaswami, Arjun. Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA. Universität Paderborn, 2018. ieee: A. Ramaswami, Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA. Universität Paderborn, 2018. mla: Ramaswami, Arjun. Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA. Universität Paderborn, 2018. short: A. Ramaswami, Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA, Universität Paderborn, 2018. date_created: 2018-11-07T16:08:32Z date_updated: 2022-01-12T16:32:23Z ddc: - '000' department: - _id: '27' - _id: '518' file: - access_level: closed content_type: application/pdf creator: arjunr date_created: 2020-06-15T11:29:38Z date_updated: 2020-06-15T11:29:38Z file_id: '17093' file_name: masterthesis.pdf file_size: 1297585 relation: main_file success: 1 file_date_updated: 2020-06-15T11:29:38Z has_accepted_license: '1' keyword: - 'FFT: FPGA' - CP2K - OpenCL language: - iso: eng main_file_link: - open_access: '1' oa: '1' project: - _id: '1' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' name: SFB 901 - Subproject C2 publisher: Universität Paderborn status: public supervisor: - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 title: Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGA type: mastersthesis user_id: '49171' year: '2018' ... --- _id: '1588' abstract: - lang: eng text: The exploration of FPGAs as accelerators for scientific simulations has so far mostly been focused on small kernels of methods working on regular data structures, for example in the form of stencil computations for finite difference methods. In computational sciences, often more advanced methods are employed that promise better stability, convergence, locality and scaling. Unstructured meshes are shown to be more effective and more accurate, compared to regular grids, in representing computation domains of various shapes. Using unstructured meshes, the discontinuous Galerkin method preserves the ability to perform explicit local update operations for simulations in the time domain. In this work, we investigate FPGAs as target platform for an implementation of the nodal discontinuous Galerkin method to find time-domain solutions of Maxwell's equations in an unstructured mesh. When maximizing data reuse and fitting constant coefficients into suitably partitioned on-chip memory, high computational intensity allows us to implement and feed wide data paths with hundreds of floating point operators. By decoupling off-chip memory accesses from the computations, high memory bandwidth can be sustained, even for the irregular access pattern required by parts of the application. Using the Intel/Altera OpenCL SDK for FPGAs, we present different implementation variants for different polynomial orders of the method. In different phases of the algorithm, either computational or bandwidth limits of the Arria 10 platform are almost reached, thus outperforming a highly multithreaded CPU implementation by around 2x. author: - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Gopinath full_name: Mahale, Gopinath last_name: Mahale - first_name: Samer full_name: Alhaddad, Samer id: '42456' last_name: Alhaddad - first_name: Yevgen full_name: Grynko, Yevgen id: '26059' last_name: Grynko - first_name: Christian full_name: Schmitt, Christian last_name: Schmitt - first_name: Ayesha full_name: Afzal, Ayesha last_name: Afzal - first_name: Frank full_name: Hannig, Frank last_name: Hannig - first_name: Jens full_name: Förstner, Jens id: '158' last_name: Förstner orcid: 0000-0001-7059-9862 - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: 'Kenter T, Mahale G, Alhaddad S, et al. OpenCL-based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes. In: Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM). IEEE; 2018. doi:10.1109/FCCM.2018.00037' apa: Kenter, T., Mahale, G., Alhaddad, S., Grynko, Y., Schmitt, C., Afzal, A., Hannig, F., Förstner, J., & Plessl, C. (2018). OpenCL-based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes. Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM). Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM). https://doi.org/10.1109/FCCM.2018.00037 bibtex: '@inproceedings{Kenter_Mahale_Alhaddad_Grynko_Schmitt_Afzal_Hannig_Förstner_Plessl_2018, title={OpenCL-based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes}, DOI={10.1109/FCCM.2018.00037}, booktitle={Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM)}, publisher={IEEE}, author={Kenter, Tobias and Mahale, Gopinath and Alhaddad, Samer and Grynko, Yevgen and Schmitt, Christian and Afzal, Ayesha and Hannig, Frank and Förstner, Jens and Plessl, Christian}, year={2018} }' chicago: Kenter, Tobias, Gopinath Mahale, Samer Alhaddad, Yevgen Grynko, Christian Schmitt, Ayesha Afzal, Frank Hannig, Jens Förstner, and Christian Plessl. “OpenCL-Based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes.” In Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM). IEEE, 2018. https://doi.org/10.1109/FCCM.2018.00037. ieee: 'T. Kenter et al., “OpenCL-based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes,” presented at the Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM), 2018, doi: 10.1109/FCCM.2018.00037.' mla: Kenter, Tobias, et al. “OpenCL-Based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes.” Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM), IEEE, 2018, doi:10.1109/FCCM.2018.00037. short: 'T. Kenter, G. Mahale, S. Alhaddad, Y. Grynko, C. Schmitt, A. Afzal, F. Hannig, J. Förstner, C. Plessl, in: Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM), IEEE, 2018.' conference: name: Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM) date_created: 2018-03-22T10:48:01Z date_updated: 2023-09-26T11:47:52Z ddc: - '000' department: - _id: '27' - _id: '518' - _id: '61' doi: 10.1109/FCCM.2018.00037 file: - access_level: closed content_type: application/pdf creator: ups date_created: 2018-11-02T14:45:05Z date_updated: 2018-11-02T14:45:05Z file_id: '5282' file_name: 08457652.pdf file_size: 269130 relation: main_file success: 1 file_date_updated: 2018-11-02T14:45:05Z has_accepted_license: '1' keyword: - tet_topic_hpc language: - iso: eng project: - _id: '33' grant_number: 01|H16005A name: HighPerMeshes - _id: '1' grant_number: '160364472' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' grant_number: '160364472' name: SFB 901 - Subproject C2 publication: Proc. Int. Symp. on Field-Programmable Custom Computing Machines (FCCM) publisher: IEEE quality_controlled: '1' status: public title: OpenCL-based FPGA Design to Accelerate the Nodal Discontinuous Galerkin Method for Unstructured Meshes type: conference user_id: '15278' year: '2018' ... --- _id: '1590' abstract: - lang: eng text: "We present the submatrix method, a highly parallelizable method for the approximate calculation of inverse p-th roots of large sparse symmetric matrices which are required in different scientific applications. Following the idea of Approximate Computing, we allow imprecision in the final result in order to utilize the sparsity of the input matrix and to allow massively parallel execution. For an n x n matrix, the proposed algorithm allows to distribute the calculations over n nodes with only little communication overhead. The result matrix exhibits the same sparsity pattern as the input matrix, allowing for efficient reuse of allocated data structures.\r\n\r\nWe evaluate the algorithm with respect to the error that it introduces into calculated results, as well as its performance and scalability. We demonstrate that the error is relatively limited for well-conditioned matrices and that results are still valuable for error-resilient applications like preconditioning even for ill-conditioned matrices. We discuss the execution time and scaling of the algorithm on a theoretical level and present a distributed implementation of the algorithm using MPI and OpenMP. We demonstrate the scalability of this implementation by running it on a high-performance compute cluster comprised of 1024 CPU cores, showing a speedup of 665x compared to single-threaded execution." author: - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Stephan full_name: Mohr, Stephan last_name: Mohr - first_name: Hendrik full_name: Wiebeler, Hendrik last_name: Wiebeler - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: 'Lass M, Mohr S, Wiebeler H, Kühne T, Plessl C. A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices. In: Proc. Platform for Advanced Scientific Computing (PASC) Conference. ACM; 2018. doi:10.1145/3218176.3218231' apa: Lass, M., Mohr, S., Wiebeler, H., Kühne, T., & Plessl, C. (2018). A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices. Proc. Platform for Advanced Scientific Computing (PASC) Conference. Platform for Advanced Scientific Computing Conference (PASC), Basel, Switzerland. https://doi.org/10.1145/3218176.3218231 bibtex: '@inproceedings{Lass_Mohr_Wiebeler_Kühne_Plessl_2018, place={New York, NY, USA}, title={A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices}, DOI={10.1145/3218176.3218231}, booktitle={Proc. Platform for Advanced Scientific Computing (PASC) Conference}, publisher={ACM}, author={Lass, Michael and Mohr, Stephan and Wiebeler, Hendrik and Kühne, Thomas and Plessl, Christian}, year={2018} }' chicago: 'Lass, Michael, Stephan Mohr, Hendrik Wiebeler, Thomas Kühne, and Christian Plessl. “A Massively Parallel Algorithm for the Approximate Calculation of Inverse P-Th Roots of Large Sparse Matrices.” In Proc. Platform for Advanced Scientific Computing (PASC) Conference. New York, NY, USA: ACM, 2018. https://doi.org/10.1145/3218176.3218231.' ieee: 'M. Lass, S. Mohr, H. Wiebeler, T. Kühne, and C. Plessl, “A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices,” presented at the Platform for Advanced Scientific Computing Conference (PASC), Basel, Switzerland, 2018, doi: 10.1145/3218176.3218231.' mla: Lass, Michael, et al. “A Massively Parallel Algorithm for the Approximate Calculation of Inverse P-Th Roots of Large Sparse Matrices.” Proc. Platform for Advanced Scientific Computing (PASC) Conference, ACM, 2018, doi:10.1145/3218176.3218231. short: 'M. Lass, S. Mohr, H. Wiebeler, T. Kühne, C. Plessl, in: Proc. Platform for Advanced Scientific Computing (PASC) Conference, ACM, New York, NY, USA, 2018.' conference: end_date: 2018-07-04 location: Basel, Switzerland name: Platform for Advanced Scientific Computing Conference (PASC) start_date: 2018-07-02 date_created: 2018-03-22T10:53:01Z date_updated: 2023-09-26T11:48:12Z department: - _id: '27' - _id: '518' - _id: '304' doi: 10.1145/3218176.3218231 external_id: arxiv: - '1710.10899' keyword: - approximate computing - linear algebra - matrix inversion - matrix p-th roots - numeric algorithm - parallel computing language: - iso: eng place: New York, NY, USA project: - _id: '32' grant_number: PL 595/2-1 / 320898746 name: Performance and Efficiency in HPC with Custom Computing - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Proc. Platform for Advanced Scientific Computing (PASC) Conference publication_identifier: isbn: - 978-1-4503-5891-0/18/07 publisher: ACM quality_controlled: '1' status: public title: A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices type: conference user_id: '15278' year: '2018' ... --- _id: '1204' author: - first_name: Heinrich full_name: Riebler, Heinrich id: '8961' last_name: Riebler - first_name: Gavin Francis full_name: Vaz, Gavin Francis id: '30332' last_name: Vaz - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: 'Riebler H, Vaz GF, Kenter T, Plessl C. Automated Code Acceleration Targeting Heterogeneous OpenCL Devices. In: Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP). ACM; 2018. doi:10.1145/3178487.3178534' apa: Riebler, H., Vaz, G. F., Kenter, T., & Plessl, C. (2018). Automated Code Acceleration Targeting Heterogeneous OpenCL Devices. Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP). https://doi.org/10.1145/3178487.3178534 bibtex: '@inproceedings{Riebler_Vaz_Kenter_Plessl_2018, title={Automated Code Acceleration Targeting Heterogeneous OpenCL Devices}, DOI={10.1145/3178487.3178534}, booktitle={Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP)}, publisher={ACM}, author={Riebler, Heinrich and Vaz, Gavin Francis and Kenter, Tobias and Plessl, Christian}, year={2018} }' chicago: Riebler, Heinrich, Gavin Francis Vaz, Tobias Kenter, and Christian Plessl. “Automated Code Acceleration Targeting Heterogeneous OpenCL Devices.” In Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP). ACM, 2018. https://doi.org/10.1145/3178487.3178534. ieee: 'H. Riebler, G. F. Vaz, T. Kenter, and C. Plessl, “Automated Code Acceleration Targeting Heterogeneous OpenCL Devices,” 2018, doi: 10.1145/3178487.3178534.' mla: Riebler, Heinrich, et al. “Automated Code Acceleration Targeting Heterogeneous OpenCL Devices.” Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP), ACM, 2018, doi:10.1145/3178487.3178534. short: 'H. Riebler, G.F. Vaz, T. Kenter, C. Plessl, in: Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP), ACM, 2018.' date_created: 2018-03-08T14:45:18Z date_updated: 2023-09-26T11:47:23Z ddc: - '000' department: - _id: '27' - _id: '518' doi: 10.1145/3178487.3178534 file: - access_level: closed content_type: application/pdf creator: ups date_created: 2018-11-02T14:43:37Z date_updated: 2018-11-02T14:43:37Z file_id: '5281' file_name: p417-riebler.pdf file_size: 447769 relation: main_file success: 1 file_date_updated: 2018-11-02T14:43:37Z has_accepted_license: '1' keyword: - htrop language: - iso: eng project: - _id: '1' grant_number: '160364472' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' grant_number: '160364472' name: SFB 901 - Subproject C2 publication: Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP) publication_identifier: isbn: - '9781450349826' publication_status: published publisher: ACM quality_controlled: '1' status: public title: Automated Code Acceleration Targeting Heterogeneous OpenCL Devices type: conference user_id: '15278' year: '2018' ... --- _id: '13409' 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. Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy. Physical Review B. 2018;97(11). doi:10.1103/physrevb.97.115135' apa: 'Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2018). Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy. Physical Review B, 97(11). https://doi.org/10.1103/physrevb.97.115135' bibtex: '@article{Biktagirov_Schmidt_Gerstmann_2018, title={Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy}, volume={97}, DOI={10.1103/physrevb.97.115135}, number={11}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2018} }' chicago: 'Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Calculation of Spin-Spin Zero-Field Splitting within Periodic Boundary Conditions: Towards All-Electron Accuracy.” Physical Review B 97, no. 11 (2018). https://doi.org/10.1103/physrevb.97.115135.' ieee: 'T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy,” Physical Review B, vol. 97, no. 11, 2018, doi: 10.1103/physrevb.97.115135.' mla: 'Biktagirov, Timur, et al. “Calculation of Spin-Spin Zero-Field Splitting within Periodic Boundary Conditions: Towards All-Electron Accuracy.” Physical Review B, vol. 97, no. 11, 2018, doi:10.1103/physrevb.97.115135.' short: T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review B 97 (2018). date_created: 2019-09-20T11:24:55Z date_updated: 2025-12-05T10:03:47Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' - _id: '790' doi: 10.1103/physrevb.97.115135 funded_apc: '1' intvolume: ' 97' issue: '11' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published status: public title: 'Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy' type: journal_article user_id: '16199' volume: 97 year: '2018' ... --- _id: '13407' abstract: - lang: eng text:

A study of structural evolution upon photoinduced charge transfer in a dicopper complex with biologically relevant sulfur coordination.

author: - first_name: Maria full_name: Naumova, Maria last_name: Naumova - first_name: Dmitry full_name: Khakhulin, Dmitry last_name: Khakhulin - first_name: Mateusz full_name: Rebarz, Mateusz last_name: Rebarz - first_name: Martin full_name: Rohrmüller, Martin last_name: Rohrmüller - first_name: Benjamin full_name: Dicke, Benjamin last_name: Dicke - first_name: Mykola full_name: Biednov, Mykola last_name: Biednov - first_name: Alexander full_name: Britz, Alexander last_name: Britz - first_name: Shirly full_name: Espinoza, Shirly last_name: Espinoza - first_name: Benjamin full_name: Grimm-Lebsanft, Benjamin last_name: Grimm-Lebsanft - first_name: Miroslav full_name: Kloz, Miroslav last_name: Kloz - first_name: Norman full_name: Kretzschmar, Norman last_name: Kretzschmar - first_name: Adam full_name: Neuba, Adam last_name: Neuba - first_name: Jochen full_name: Ortmeyer, Jochen last_name: Ortmeyer - first_name: Roland full_name: Schoch, Roland id: '48467' last_name: Schoch orcid: 0000-0003-2061-7289 - first_name: Jakob full_name: Andreasson, Jakob last_name: Andreasson - first_name: Matthias full_name: Bauer, Matthias id: '47241' last_name: Bauer orcid: 0000-0002-9294-6076 - first_name: Christian full_name: Bressler, Christian last_name: Bressler - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Gerald full_name: Henkel, Gerald last_name: Henkel - first_name: Michael full_name: Rübhausen, Michael last_name: Rübhausen citation: ama: Naumova M, Khakhulin D, Rebarz M, et al. Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex. Physical Chemistry Chemical Physics. Published online 2018:6274-6286. doi:10.1039/c7cp04880g apa: Naumova, M., Khakhulin, D., Rebarz, M., Rohrmüller, M., Dicke, B., Biednov, M., Britz, A., Espinoza, S., Grimm-Lebsanft, B., Kloz, M., Kretzschmar, N., Neuba, A., Ortmeyer, J., Schoch, R., Andreasson, J., Bauer, M., Bressler, C., Schmidt, W. G., Henkel, G., & Rübhausen, M. (2018). Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex. Physical Chemistry Chemical Physics, 6274–6286. https://doi.org/10.1039/c7cp04880g bibtex: '@article{Naumova_Khakhulin_Rebarz_Rohrmüller_Dicke_Biednov_Britz_Espinoza_Grimm-Lebsanft_Kloz_et al._2018, title={Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex}, DOI={10.1039/c7cp04880g}, journal={Physical Chemistry Chemical Physics}, author={Naumova, Maria and Khakhulin, Dmitry and Rebarz, Mateusz and Rohrmüller, Martin and Dicke, Benjamin and Biednov, Mykola and Britz, Alexander and Espinoza, Shirly and Grimm-Lebsanft, Benjamin and Kloz, Miroslav and et al.}, year={2018}, pages={6274–6286} }' chicago: Naumova, Maria, Dmitry Khakhulin, Mateusz Rebarz, Martin Rohrmüller, Benjamin Dicke, Mykola Biednov, Alexander Britz, et al. “Structural Dynamics upon Photoexcitation-Induced Charge Transfer in a Dicopper(i)–Disulfide Complex.” Physical Chemistry Chemical Physics, 2018, 6274–86. https://doi.org/10.1039/c7cp04880g. ieee: 'M. Naumova et al., “Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex,” Physical Chemistry Chemical Physics, pp. 6274–6286, 2018, doi: 10.1039/c7cp04880g.' mla: Naumova, Maria, et al. “Structural Dynamics upon Photoexcitation-Induced Charge Transfer in a Dicopper(i)–Disulfide Complex.” Physical Chemistry Chemical Physics, 2018, pp. 6274–86, doi:10.1039/c7cp04880g. short: M. Naumova, D. Khakhulin, M. Rebarz, M. Rohrmüller, B. Dicke, M. Biednov, A. Britz, S. Espinoza, B. Grimm-Lebsanft, M. Kloz, N. Kretzschmar, A. Neuba, J. Ortmeyer, R. Schoch, J. Andreasson, M. Bauer, C. Bressler, W.G. Schmidt, G. Henkel, M. Rübhausen, Physical Chemistry Chemical Physics (2018) 6274–6286. date_created: 2019-09-20T11:14:14Z date_updated: 2025-12-05T10:06:33Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '2' - _id: '306' - _id: '35' - _id: '230' - _id: '27' - _id: '305' doi: 10.1039/c7cp04880g language: - iso: eng page: 6274-6286 project: - _id: '52' name: 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: Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex type: journal_article user_id: '16199' year: '2018' ... --- _id: '13408' author: - first_name: T. full_name: Lichtenstein, T. last_name: Lichtenstein - first_name: Z. full_name: Mamiyev, Z. last_name: Mamiyev - first_name: C. full_name: Braun, C. last_name: Braun - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp - first_name: H. full_name: Pfnür, H. last_name: Pfnür citation: ama: Lichtenstein T, Mamiyev Z, Braun C, et al. Probing quasi-one-dimensional band structures by plasmon spectroscopy. Physical Review B. 2018;97(16). doi:10.1103/physrevb.97.165421 apa: Lichtenstein, T., Mamiyev, Z., Braun, C., Sanna, S., Schmidt, W. G., Tegenkamp, C., & Pfnür, H. (2018). Probing quasi-one-dimensional band structures by plasmon spectroscopy. Physical Review B, 97(16). https://doi.org/10.1103/physrevb.97.165421 bibtex: '@article{Lichtenstein_Mamiyev_Braun_Sanna_Schmidt_Tegenkamp_Pfnür_2018, title={Probing quasi-one-dimensional band structures by plasmon spectroscopy}, volume={97}, DOI={10.1103/physrevb.97.165421}, number={16}, journal={Physical Review B}, author={Lichtenstein, T. and Mamiyev, Z. and Braun, C. and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C. and Pfnür, H.}, year={2018} }' chicago: Lichtenstein, T., Z. Mamiyev, C. Braun, S. Sanna, Wolf Gero Schmidt, C. Tegenkamp, and H. Pfnür. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.” Physical Review B 97, no. 16 (2018). https://doi.org/10.1103/physrevb.97.165421. ieee: 'T. Lichtenstein et al., “Probing quasi-one-dimensional band structures by plasmon spectroscopy,” Physical Review B, vol. 97, no. 16, 2018, doi: 10.1103/physrevb.97.165421.' mla: Lichtenstein, T., et al. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.” Physical Review B, vol. 97, no. 16, 2018, doi:10.1103/physrevb.97.165421. short: T. Lichtenstein, Z. Mamiyev, C. Braun, S. Sanna, W.G. Schmidt, C. Tegenkamp, H. Pfnür, Physical Review B 97 (2018). date_created: 2019-09-20T11:22:38Z date_updated: 2025-12-05T10:04:22Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1103/physrevb.97.165421 funded_apc: '1' intvolume: ' 97' issue: '16' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published status: public title: Probing quasi-one-dimensional band structures by plasmon spectroscopy type: journal_article user_id: '16199' volume: 97 year: '2018' ... --- _id: '13411' author: - first_name: B. full_name: Halbig, B. last_name: Halbig - first_name: M. full_name: Liebhaber, M. last_name: Liebhaber - first_name: U. full_name: Bass, U. last_name: Bass - first_name: J. full_name: Geurts, J. last_name: Geurts - first_name: E. full_name: Speiser, E. last_name: Speiser - first_name: J. full_name: Räthel, J. last_name: Räthel - first_name: S. full_name: Chandola, S. last_name: Chandola - first_name: N. full_name: Esser, N. last_name: Esser - first_name: Marvin full_name: Krenz, Marvin id: '52309' last_name: Krenz - first_name: Sergej full_name: Neufeld, Sergej id: '23261' last_name: Neufeld - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: S. full_name: Sanna, S. last_name: Sanna citation: ama: Halbig B, Liebhaber M, Bass U, et al. Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction. Physical Review B. 2018;97(3). doi:10.1103/physrevb.97.035412 apa: Halbig, B., Liebhaber, M., Bass, U., Geurts, J., Speiser, E., Räthel, J., Chandola, S., Esser, N., Krenz, M., Neufeld, S., Schmidt, W. G., & Sanna, S. (2018). Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction. Physical Review B, 97(3). https://doi.org/10.1103/physrevb.97.035412 bibtex: '@article{Halbig_Liebhaber_Bass_Geurts_Speiser_Räthel_Chandola_Esser_Krenz_Neufeld_et al._2018, title={Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction}, volume={97}, DOI={10.1103/physrevb.97.035412}, number={3}, journal={Physical Review B}, author={Halbig, B. and Liebhaber, M. and Bass, U. and Geurts, J. and Speiser, E. and Räthel, J. and Chandola, S. and Esser, N. and Krenz, Marvin and Neufeld, Sergej and et al.}, year={2018} }' chicago: Halbig, B., M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, et al. “Vibrational Properties of the Au-(3×3)/Si(111) Surface Reconstruction.” Physical Review B 97, no. 3 (2018). https://doi.org/10.1103/physrevb.97.035412. ieee: 'B. Halbig et al., “Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction,” Physical Review B, vol. 97, no. 3, 2018, doi: 10.1103/physrevb.97.035412.' mla: Halbig, B., et al. “Vibrational Properties of the Au-(3×3)/Si(111) Surface Reconstruction.” Physical Review B, vol. 97, no. 3, 2018, doi:10.1103/physrevb.97.035412. short: B. Halbig, M. Liebhaber, U. Bass, J. Geurts, E. Speiser, J. Räthel, S. Chandola, N. Esser, M. Krenz, S. Neufeld, W.G. Schmidt, S. Sanna, Physical Review B 97 (2018). date_created: 2019-09-20T11:30:00Z date_updated: 2025-12-05T10:17:55Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' - _id: '27' doi: 10.1103/physrevb.97.035412 funded_apc: '1' intvolume: ' 97' issue: '3' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published status: public title: Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction type: journal_article user_id: '16199' volume: 97 year: '2018' ... --- _id: '13413' author: - first_name: Kaori full_name: Seino, Kaori last_name: Seino - first_name: Simone full_name: Sanna, Simone last_name: Sanna - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Seino K, Sanna S, Schmidt WG. Temperature stabilizes rough Au/Ge(001) surface reconstructions. Surface Science. 2018;667:101-104. doi:10.1016/j.susc.2017.10.005 apa: Seino, K., Sanna, S., & Schmidt, W. G. (2018). Temperature stabilizes rough Au/Ge(001) surface reconstructions. Surface Science, 667, 101–104. https://doi.org/10.1016/j.susc.2017.10.005 bibtex: '@article{Seino_Sanna_Schmidt_2018, title={Temperature stabilizes rough Au/Ge(001) surface reconstructions}, volume={667}, DOI={10.1016/j.susc.2017.10.005}, journal={Surface Science}, author={Seino, Kaori and Sanna, Simone and Schmidt, Wolf Gero}, year={2018}, pages={101–104} }' chicago: 'Seino, Kaori, Simone Sanna, and Wolf Gero Schmidt. “Temperature Stabilizes Rough Au/Ge(001) Surface Reconstructions.” Surface Science 667 (2018): 101–4. https://doi.org/10.1016/j.susc.2017.10.005.' ieee: 'K. Seino, S. Sanna, and W. G. Schmidt, “Temperature stabilizes rough Au/Ge(001) surface reconstructions,” Surface Science, vol. 667, pp. 101–104, 2018, doi: 10.1016/j.susc.2017.10.005.' mla: Seino, Kaori, et al. “Temperature Stabilizes Rough Au/Ge(001) Surface Reconstructions.” Surface Science, vol. 667, 2018, pp. 101–04, doi:10.1016/j.susc.2017.10.005. short: K. Seino, S. Sanna, W.G. Schmidt, Surface Science 667 (2018) 101–104. date_created: 2019-09-20T11:35:53Z date_updated: 2025-12-05T10:16:39Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1016/j.susc.2017.10.005 funded_apc: '1' intvolume: ' 667' language: - iso: eng page: 101-104 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Surface Science publication_identifier: issn: - 0039-6028 publication_status: published status: public title: Temperature stabilizes rough Au/Ge(001) surface reconstructions type: journal_article user_id: '16199' volume: 667 year: '2018' ... --- _id: '13430' author: - first_name: T. full_name: Lichtenstein, T. last_name: Lichtenstein - first_name: Z. full_name: Mamiyev, Z. last_name: Mamiyev - first_name: Christian full_name: Braun, Christian id: '28675' last_name: Braun orcid: 0000-0002-3224-2683 - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp - first_name: H. full_name: Pfnür, H. last_name: Pfnür citation: ama: Lichtenstein T, Mamiyev Z, Braun C, et al. Probing quasi-one-dimensional band structures by plasmon spectroscopy. Physical Review B. 2018;97(16). doi:10.1103/physrevb.97.165421 apa: Lichtenstein, T., Mamiyev, Z., Braun, C., Sanna, S., Schmidt, W. G., Tegenkamp, C., & Pfnür, H. (2018). Probing quasi-one-dimensional band structures by plasmon spectroscopy. Physical Review B, 97(16). https://doi.org/10.1103/physrevb.97.165421 bibtex: '@article{Lichtenstein_Mamiyev_Braun_Sanna_Schmidt_Tegenkamp_Pfnür_2018, title={Probing quasi-one-dimensional band structures by plasmon spectroscopy}, volume={97}, DOI={10.1103/physrevb.97.165421}, number={16}, journal={Physical Review B}, author={Lichtenstein, T. and Mamiyev, Z. and Braun, Christian and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C. and Pfnür, H.}, year={2018} }' chicago: Lichtenstein, T., Z. Mamiyev, Christian Braun, S. Sanna, Wolf Gero Schmidt, C. Tegenkamp, and H. Pfnür. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.” Physical Review B 97, no. 16 (2018). https://doi.org/10.1103/physrevb.97.165421. ieee: 'T. Lichtenstein et al., “Probing quasi-one-dimensional band structures by plasmon spectroscopy,” Physical Review B, vol. 97, no. 16, 2018, doi: 10.1103/physrevb.97.165421.' mla: Lichtenstein, T., et al. “Probing Quasi-One-Dimensional Band Structures by Plasmon Spectroscopy.” Physical Review B, vol. 97, no. 16, 2018, doi:10.1103/physrevb.97.165421. short: T. Lichtenstein, Z. Mamiyev, C. Braun, S. Sanna, W.G. Schmidt, C. Tegenkamp, H. Pfnür, Physical Review B 97 (2018). date_created: 2019-09-20T12:30:24Z date_updated: 2025-12-05T10:29:08Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1103/physrevb.97.165421 intvolume: ' 97' issue: '16' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published status: public title: Probing quasi-one-dimensional band structures by plasmon spectroscopy type: journal_article user_id: '16199' volume: 97 year: '2018' ... --- _id: '13348' article_number: '146' author: - first_name: Samuel M. H. full_name: Luk, Samuel M. H. last_name: Luk - first_name: P. full_name: Lewandowski, P. last_name: Lewandowski - first_name: N. H. full_name: Kwong, N. H. last_name: Kwong - first_name: E. full_name: Baudin, E. last_name: Baudin - first_name: O. full_name: Lafont, O. last_name: Lafont - first_name: J. full_name: Tignon, J. last_name: Tignon - first_name: P. T. full_name: Leung, P. T. last_name: Leung - first_name: Ch. K. P. full_name: Chan, Ch. K. P. last_name: Chan - first_name: M. full_name: Babilon, M. last_name: Babilon - 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: Luk SMH, Lewandowski P, Kwong NH, et al. Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities. Journal of the Optical Society of America B. 2018;35(1). doi:10.1364/josab.35.000146 apa: Luk, S. M. H., Lewandowski, P., Kwong, N. H., Baudin, E., Lafont, O., Tignon, J., Leung, P. T., Chan, Ch. K. P., Babilon, M., Schumacher, S., & Binder, R. (2018). Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities. Journal of the Optical Society of America B, 35(1), Article 146. https://doi.org/10.1364/josab.35.000146 bibtex: '@article{Luk_Lewandowski_Kwong_Baudin_Lafont_Tignon_Leung_Chan_Babilon_Schumacher_et al._2018, title={Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities}, volume={35}, DOI={10.1364/josab.35.000146}, number={1146}, journal={Journal of the Optical Society of America B}, author={Luk, Samuel M. H. and Lewandowski, P. and Kwong, N. H. and Baudin, E. and Lafont, O. and Tignon, J. and Leung, P. T. and Chan, Ch. K. P. and Babilon, M. and Schumacher, Stefan and et al.}, year={2018} }' chicago: Luk, Samuel M. H., P. Lewandowski, N. H. Kwong, E. Baudin, O. Lafont, J. Tignon, P. T. Leung, et al. “Theory of Optically Controlled Anisotropic Polariton Transport in Semiconductor Double Microcavities.” Journal of the Optical Society of America B 35, no. 1 (2018). https://doi.org/10.1364/josab.35.000146. ieee: 'S. M. H. Luk et al., “Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities,” Journal of the Optical Society of America B, vol. 35, no. 1, Art. no. 146, 2018, doi: 10.1364/josab.35.000146.' mla: Luk, Samuel M. H., et al. “Theory of Optically Controlled Anisotropic Polariton Transport in Semiconductor Double Microcavities.” Journal of the Optical Society of America B, vol. 35, no. 1, 146, 2018, doi:10.1364/josab.35.000146. short: S.M.H. Luk, P. Lewandowski, N.H. Kwong, E. Baudin, O. Lafont, J. Tignon, P.T. Leung, Ch.K.P. Chan, M. Babilon, S. Schumacher, R. Binder, Journal of the Optical Society of America B 35 (2018). date_created: 2019-09-19T13:50:06Z date_updated: 2025-12-05T14:33:42Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '429' - _id: '27' - _id: '35' doi: 10.1364/josab.35.000146 intvolume: ' 35' 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' publication: Journal of the Optical Society of America B publication_identifier: issn: - 0740-3224 - 1520-8540 publication_status: published status: public title: Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities type: journal_article user_id: '16199' volume: 35 year: '2018' ...