--- _id: '15734' article_type: original author: - first_name: Elaheh full_name: Ghorbani, Elaheh last_name: Ghorbani - first_name: Janos full_name: Kiss, Janos last_name: Kiss - first_name: Hossein full_name: Mirhosseini, Hossein id: '71051' last_name: Mirhosseini orcid: https://orcid.org/0000-0001-6179-1545 - first_name: Markus full_name: Schmidt, Markus last_name: Schmidt - first_name: Johannes full_name: Windeln, Johannes last_name: Windeln - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Claudia full_name: Felser, Claudia last_name: Felser citation: ama: Ghorbani E, Kiss J, Mirhosseini H, et al. Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations. The Journal of Physical Chemistry C. 2016:2064-2069. doi:10.1021/acs.jpcc.5b11022 apa: Ghorbani, E., Kiss, J., Mirhosseini, H., Schmidt, M., Windeln, J., Kühne, T., & Felser, C. (2016). Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations. The Journal of Physical Chemistry C, 2064–2069. https://doi.org/10.1021/acs.jpcc.5b11022 bibtex: '@article{Ghorbani_Kiss_Mirhosseini_Schmidt_Windeln_Kühne_Felser_2016, title={Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations}, DOI={10.1021/acs.jpcc.5b11022}, journal={The Journal of Physical Chemistry C}, author={Ghorbani, Elaheh and Kiss, Janos and Mirhosseini, Hossein and Schmidt, Markus and Windeln, Johannes and Kühne, Thomas and Felser, Claudia}, year={2016}, pages={2064–2069} }' chicago: Ghorbani, Elaheh, Janos Kiss, Hossein Mirhosseini, Markus Schmidt, Johannes Windeln, Thomas Kühne, and Claudia Felser. “Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations.” The Journal of Physical Chemistry C, 2016, 2064–69. https://doi.org/10.1021/acs.jpcc.5b11022. ieee: E. Ghorbani et al., “Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations,” The Journal of Physical Chemistry C, pp. 2064–2069, 2016. mla: Ghorbani, Elaheh, et al. “Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations.” The Journal of Physical Chemistry C, 2016, pp. 2064–69, doi:10.1021/acs.jpcc.5b11022. short: E. Ghorbani, J. Kiss, H. Mirhosseini, M. Schmidt, J. Windeln, T. Kühne, C. Felser, The Journal of Physical Chemistry C (2016) 2064–2069. date_created: 2020-01-30T13:10:14Z date_updated: 2022-01-06T06:52:32Z doi: 10.1021/acs.jpcc.5b11022 extern: '1' language: - iso: eng page: 2064-2069 publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations type: journal_article user_id: '71692' year: '2016' ... --- _id: '45766' article_number: '043305' author: - first_name: Christopher full_name: John, Christopher last_name: John - first_name: Thomas full_name: Spura, Thomas last_name: Spura - first_name: Thomas D. full_name: Kühne, Thomas D. id: '49079' last_name: Kühne citation: ama: 'John C, Spura T, Kühne TD. Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab Initio molecular dynamics. Phys Rev E. 2016;93.' apa: 'John, C., Spura, T., & Kühne, T. D. (2016). Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab Initio molecular dynamics. Phys. Rev. E, 93, Article 043305.' bibtex: '@article{John_Spura_Kühne_2016, title={Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab Initio molecular dynamics}, volume={93}, number={043305}, journal={Phys. Rev. E}, author={John, Christopher and Spura, Thomas and Kühne, Thomas D.}, year={2016} }' chicago: 'John, Christopher, Thomas Spura, and Thomas D. Kühne. “Quantum Ring-Polymer Contraction Method: Including Nuclear Quantum Effects at No Additional Computational Cost in Comparison to Ab Initio Molecular Dynamics.” Phys. Rev. E 93 (2016).' ieee: 'C. John, T. Spura, and T. D. Kühne, “Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab Initio molecular dynamics,” Phys. Rev. E, vol. 93, Art. no. 043305, 2016.' mla: 'John, Christopher, et al. “Quantum Ring-Polymer Contraction Method: Including Nuclear Quantum Effects at No Additional Computational Cost in Comparison to Ab Initio Molecular Dynamics.” Phys. Rev. E, vol. 93, 043305, 2016.' short: C. John, T. Spura, T.D. Kühne, Phys. Rev. E 93 (2016). date_created: 2023-06-26T08:11:59Z date_updated: 2023-06-26T08:12:06Z department: - _id: '304' intvolume: ' 93' language: - iso: eng publication: Phys. Rev. E status: public title: 'Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab Initio molecular dynamics' type: journal_article user_id: '14931' volume: 93 year: '2016' ... --- _id: '25' 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 in Scientific Codes. In: Workshop on Approximate Computing (AC). ; 2016.' apa: Lass, M., Kühne, T., & Plessl, C. (2016). Using Approximate Computing in Scientific Codes. Workshop on Approximate Computing (AC). bibtex: '@inproceedings{Lass_Kühne_Plessl_2016, title={Using Approximate Computing in Scientific Codes}, booktitle={Workshop on Approximate Computing (AC)}, author={Lass, Michael and Kühne, Thomas and Plessl, Christian}, year={2016} }' chicago: Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing in Scientific Codes.” In Workshop on Approximate Computing (AC), 2016. ieee: M. Lass, T. Kühne, and C. Plessl, “Using Approximate Computing in Scientific Codes,” 2016. mla: Lass, Michael, et al. “Using Approximate Computing in Scientific Codes.” Workshop on Approximate Computing (AC), 2016. short: 'M. Lass, T. Kühne, C. Plessl, in: Workshop on Approximate Computing (AC), 2016.' date_created: 2017-07-26T15:02:20Z date_updated: 2023-09-26T13:25:17Z department: - _id: '27' - _id: '518' - _id: '304' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Workshop on Approximate Computing (AC) quality_controlled: '1' status: public title: Using Approximate Computing in Scientific Codes type: conference user_id: '15278' year: '2016' ... --- _id: '15736' article_type: original author: - first_name: Elaheh full_name: Ghorbani, Elaheh last_name: Ghorbani - first_name: Janos full_name: Kiss, Janos last_name: Kiss - first_name: Hossein full_name: Mirhosseini, Hossein id: '71051' last_name: Mirhosseini orcid: https://orcid.org/0000-0001-6179-1545 - first_name: Guido full_name: Roma, Guido last_name: Roma - first_name: Markus full_name: Schmidt, Markus last_name: Schmidt - first_name: Johannes full_name: Windeln, Johannes last_name: Windeln - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Claudia full_name: Felser, Claudia last_name: Felser citation: ama: Ghorbani E, Kiss J, Mirhosseini H, et al. Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials. The Journal of Physical Chemistry C. 2015:25197-25203. doi:10.1021/acs.jpcc.5b07639 apa: Ghorbani, E., Kiss, J., Mirhosseini, H., Roma, G., Schmidt, M., Windeln, J., … Felser, C. (2015). Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials. The Journal of Physical Chemistry C, 25197–25203. https://doi.org/10.1021/acs.jpcc.5b07639 bibtex: '@article{Ghorbani_Kiss_Mirhosseini_Roma_Schmidt_Windeln_Kühne_Felser_2015, title={Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials}, DOI={10.1021/acs.jpcc.5b07639}, journal={The Journal of Physical Chemistry C}, author={Ghorbani, Elaheh and Kiss, Janos and Mirhosseini, Hossein and Roma, Guido and Schmidt, Markus and Windeln, Johannes and Kühne, Thomas and Felser, Claudia}, year={2015}, pages={25197–25203} }' chicago: Ghorbani, Elaheh, Janos Kiss, Hossein Mirhosseini, Guido Roma, Markus Schmidt, Johannes Windeln, Thomas Kühne, and Claudia Felser. “Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials.” The Journal of Physical Chemistry C, 2015, 25197–203. https://doi.org/10.1021/acs.jpcc.5b07639. ieee: E. Ghorbani et al., “Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials,” The Journal of Physical Chemistry C, pp. 25197–25203, 2015. mla: Ghorbani, Elaheh, et al. “Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials.” The Journal of Physical Chemistry C, 2015, pp. 25197–203, doi:10.1021/acs.jpcc.5b07639. short: E. Ghorbani, J. Kiss, H. Mirhosseini, G. Roma, M. Schmidt, J. Windeln, T. Kühne, C. Felser, The Journal of Physical Chemistry C (2015) 25197–25203. date_created: 2020-01-30T13:10:45Z date_updated: 2022-01-06T06:52:32Z doi: 10.1021/acs.jpcc.5b07639 extern: '1' language: - iso: eng page: 25197-25203 publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials type: journal_article user_id: '71692' year: '2015' ... --- _id: '34307' abstract: - lang: eng text:

“On-the-fly” coupled cluster-based path-integral molecular dynamics simulations predict that the effective potential of the protonated water–dimer has a single-well only.

author: - first_name: Thomas full_name: Spura, Thomas last_name: Spura - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: 'Spura T, Elgabarty H, Kühne T. “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics. 2015;17(22):14355-14359. doi:10.1039/c4cp05192k' apa: 'Spura, T., Elgabarty, H., & Kühne, T. (2015). “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics, 17(22), 14355–14359. https://doi.org/10.1039/c4cp05192k' bibtex: '@article{Spura_Elgabarty_Kühne_2015, title={“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer}, volume={17}, DOI={10.1039/c4cp05192k}, number={22}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Spura, Thomas and Elgabarty, Hossam and Kühne, Thomas}, year={2015}, pages={14355–14359} }' chicago: 'Spura, Thomas, Hossam Elgabarty, and Thomas Kühne. “‘On-the-Fly’ Coupled Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on the Protonated Water Dimer.” Physical Chemistry Chemical Physics 17, no. 22 (2015): 14355–59. https://doi.org/10.1039/c4cp05192k.' ieee: 'T. Spura, H. Elgabarty, and T. Kühne, “‘On-the-fly’ coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer,” Physical Chemistry Chemical Physics, vol. 17, no. 22, pp. 14355–14359, 2015, doi: 10.1039/c4cp05192k.' mla: 'Spura, Thomas, et al. “‘On-the-Fly’ Coupled Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on the Protonated Water Dimer.” Physical Chemistry Chemical Physics, vol. 17, no. 22, Royal Society of Chemistry (RSC), 2015, pp. 14355–59, doi:10.1039/c4cp05192k.' short: T. Spura, H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 17 (2015) 14355–14359. date_created: 2022-12-09T12:12:11Z date_updated: 2022-12-09T12:19:55Z doi: 10.1039/c4cp05192k intvolume: ' 17' issue: '22' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 14355-14359 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: '“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer' type: journal_article user_id: '60250' volume: 17 year: '2015' ... --- _id: '34309' author: - first_name: Jan full_name: Kessler, Jan last_name: Kessler - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 - first_name: Thomas full_name: Spura, Thomas last_name: Spura - first_name: Kristof full_name: Karhan, Kristof last_name: Karhan - first_name: Pouya full_name: Partovi-Azar, Pouya last_name: Partovi-Azar - first_name: Ali A. full_name: Hassanali, Ali A. last_name: Hassanali - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: Kessler J, Elgabarty H, Spura T, et al. Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry B. 2015;119(31):10079-10086. doi:10.1021/acs.jpcb.5b04185 apa: Kessler, J., Elgabarty, H., Spura, T., Karhan, K., Partovi-Azar, P., Hassanali, A. A., & Kühne, T. (2015). Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 119(31), 10079–10086. https://doi.org/10.1021/acs.jpcb.5b04185 bibtex: '@article{Kessler_Elgabarty_Spura_Karhan_Partovi-Azar_Hassanali_Kühne_2015, title={Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations}, volume={119}, DOI={10.1021/acs.jpcb.5b04185}, number={31}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas}, year={2015}, pages={10079–10086} }' chicago: 'Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas Kühne. “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.” The Journal of Physical Chemistry B 119, no. 31 (2015): 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.' ieee: 'J. Kessler et al., “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations,” The Journal of Physical Chemistry B, vol. 119, no. 31, pp. 10079–10086, 2015, doi: 10.1021/acs.jpcb.5b04185.' mla: Kessler, Jan, et al. “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.” The Journal of Physical Chemistry B, vol. 119, no. 31, American Chemical Society (ACS), 2015, pp. 10079–86, doi:10.1021/acs.jpcb.5b04185. short: J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T. Kühne, The Journal of Physical Chemistry B 119 (2015) 10079–10086. date_created: 2022-12-09T12:15:34Z date_updated: 2022-12-09T12:18:31Z doi: 10.1021/acs.jpcb.5b04185 intvolume: ' 119' issue: '31' keyword: - Materials Chemistry - Surfaces - Coatings and Films - Physical and Theoretical Chemistry language: - iso: eng page: 10079-10086 publication: The Journal of Physical Chemistry B publication_identifier: issn: - 1520-6106 - 1520-5207 publication_status: published publisher: American Chemical Society (ACS) status: public title: Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations type: journal_article user_id: '60250' volume: 119 year: '2015' ... --- _id: '34308' author: - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: P. full_name: Partovi-Azar, P. last_name: Partovi-Azar - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 citation: ama: Kühne T, Partovi-Azar P, Elgabarty H. Ab-initio-Moleküldynamik. Nachrichten aus der Chemie. 2015;63(3):327-335. doi:10.1002/nadc.201590095 apa: Kühne, T., Partovi-Azar, P., & Elgabarty, H. (2015). Ab-initio-Moleküldynamik. Nachrichten aus der Chemie, 63(3), 327–335. https://doi.org/10.1002/nadc.201590095 bibtex: '@article{Kühne_Partovi-Azar_Elgabarty_2015, title={Ab-initio-Moleküldynamik}, volume={63}, DOI={10.1002/nadc.201590095}, number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Kühne, Thomas and Partovi-Azar, P. and Elgabarty, Hossam}, year={2015}, pages={327–335} }' chicago: 'Kühne, Thomas, P. Partovi-Azar, and Hossam Elgabarty. “Ab-initio-Moleküldynamik.” Nachrichten aus der Chemie 63, no. 3 (2015): 327–35. https://doi.org/10.1002/nadc.201590095.' ieee: 'T. Kühne, P. Partovi-Azar, and H. Elgabarty, “Ab-initio-Moleküldynamik,” Nachrichten aus der Chemie, vol. 63, no. 3, pp. 327–335, 2015, doi: 10.1002/nadc.201590095.' mla: Kühne, Thomas, et al. “Ab-initio-Moleküldynamik.” Nachrichten aus der Chemie, vol. 63, no. 3, Wiley, 2015, pp. 327–35, doi:10.1002/nadc.201590095. short: T. Kühne, P. Partovi-Azar, H. Elgabarty, Nachrichten aus der Chemie 63 (2015) 327–335. date_created: 2022-12-09T12:13:36Z date_updated: 2022-12-09T12:18:16Z doi: 10.1002/nadc.201590095 intvolume: ' 63' issue: '3' keyword: - General Chemical Engineering - General Chemistry language: - iso: ger page: 327-335 publication: Nachrichten aus der Chemie publication_identifier: issn: - 1439-9598 publication_status: published publisher: Wiley status: public title: Ab-initio-Moleküldynamik type: journal_article user_id: '60250' volume: 63 year: '2015' ... --- _id: '34310' article_number: '8318' author: - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 - first_name: Rustam Z. full_name: Khaliullin, Rustam Z. last_name: Khaliullin - first_name: Thomas D. full_name: Kühne, Thomas D. id: '49079' last_name: Kühne citation: ama: Elgabarty H, Khaliullin RZ, Kühne TD. Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments. Nature Communications. 2015;6(1). doi:10.1038/ncomms9318 apa: Elgabarty, H., Khaliullin, R. Z., & Kühne, T. D. (2015). Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments. Nature Communications, 6(1), Article 8318. https://doi.org/10.1038/ncomms9318 bibtex: '@article{Elgabarty_Khaliullin_Kühne_2015, title={Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments}, volume={6}, DOI={10.1038/ncomms9318}, number={18318}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Elgabarty, Hossam and Khaliullin, Rustam Z. and Kühne, Thomas D.}, year={2015} }' chicago: Elgabarty, Hossam, Rustam Z. Khaliullin, and Thomas D. Kühne. “Covalency of Hydrogen Bonds in Liquid Water Can Be Probed by Proton Nuclear Magnetic Resonance Experiments.” Nature Communications 6, no. 1 (2015). https://doi.org/10.1038/ncomms9318. ieee: 'H. Elgabarty, R. Z. Khaliullin, and T. D. Kühne, “Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments,” Nature Communications, vol. 6, no. 1, Art. no. 8318, 2015, doi: 10.1038/ncomms9318.' mla: Elgabarty, Hossam, et al. “Covalency of Hydrogen Bonds in Liquid Water Can Be Probed by Proton Nuclear Magnetic Resonance Experiments.” Nature Communications, vol. 6, no. 1, 8318, Springer Science and Business Media LLC, 2015, doi:10.1038/ncomms9318. short: H. Elgabarty, R.Z. Khaliullin, T.D. Kühne, Nature Communications 6 (2015). date_created: 2022-12-09T12:16:04Z date_updated: 2023-06-26T07:56:31Z department: - _id: '304' doi: 10.1038/ncomms9318 intvolume: ' 6' issue: '1' keyword: - General Physics and Astronomy - General Biochemistry - Genetics and Molecular Biology - General Chemistry language: - iso: eng publication: Nature Communications publication_identifier: issn: - 2041-1723 publication_status: published publisher: Springer Science and Business Media LLC status: public title: Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments type: journal_article user_id: '14931' volume: 6 year: '2015' ... --- _id: '45767' article_number: '053304' author: - first_name: Francesco full_name: Calcavecchia, Francesco last_name: Calcavecchia - first_name: Francesco full_name: Pederiva, Francesco last_name: Pederiva - first_name: Malvin H. full_name: Kalos, Malvin H. last_name: Kalos - first_name: Thomas D. full_name: Kühne, Thomas D. id: '49079' last_name: Kühne citation: ama: Calcavecchia F, Pederiva F, Kalos MH, Kühne TD. Sign problem of the fermionic shadow wave function. Phys Rev E. 2014;90. apa: Calcavecchia, F., Pederiva, F., Kalos, M. H., & Kühne, T. D. (2014). Sign problem of the fermionic shadow wave function. Phys. Rev. E, 90, Article 053304. bibtex: '@article{Calcavecchia_Pederiva_Kalos_Kühne_2014, title={Sign problem of the fermionic shadow wave function}, volume={90}, number={053304}, journal={Phys. Rev. E}, author={Calcavecchia, Francesco and Pederiva, Francesco and Kalos, Malvin H. and Kühne, Thomas D.}, year={2014} }' chicago: Calcavecchia, Francesco, Francesco Pederiva, Malvin H. Kalos, and Thomas D. Kühne. “Sign Problem of the Fermionic Shadow Wave Function.” Phys. Rev. E 90 (2014). ieee: F. Calcavecchia, F. Pederiva, M. H. Kalos, and T. D. Kühne, “Sign problem of the fermionic shadow wave function,” Phys. Rev. E, vol. 90, Art. no. 053304, 2014. mla: Calcavecchia, Francesco, et al. “Sign Problem of the Fermionic Shadow Wave Function.” Phys. Rev. E, vol. 90, 053304, 2014. short: F. Calcavecchia, F. Pederiva, M.H. Kalos, T.D. Kühne, Phys. Rev. E 90 (2014). date_created: 2023-06-26T08:16:46Z date_updated: 2023-06-26T08:16:54Z department: - _id: '304' intvolume: ' 90' language: - iso: eng publication: Phys. Rev. E status: public title: Sign problem of the fermionic shadow wave function type: journal_article user_id: '14931' volume: 90 year: '2014' ... --- _id: '45769' article_number: '1450' author: - first_name: Thomas D. full_name: Kühne, Thomas D. id: '49079' last_name: Kühne - first_name: Rustam Z. full_name: Khaliullin, Rustam Z. last_name: Khaliullin citation: ama: Kühne TD, Khaliullin RZ. Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water. Nature Commun. 2013;4. apa: Kühne, T. D., & Khaliullin, R. Z. (2013). Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water. Nature Commun., 4, Article 1450. bibtex: '@article{Kühne_Khaliullin_2013, title={Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water}, volume={4}, number={1450}, journal={Nature Commun.}, author={Kühne, Thomas D. and Khaliullin, Rustam Z.}, year={2013} }' chicago: Kühne, Thomas D., and Rustam Z. Khaliullin. “Electronic Signature of the Instantaneous Asymmetry in the First Coordination Shell of Liquid Water.” Nature Commun. 4 (2013). ieee: T. D. Kühne and R. Z. Khaliullin, “Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water,” Nature Commun., vol. 4, Art. no. 1450, 2013. mla: Kühne, Thomas D., and Rustam Z. Khaliullin. “Electronic Signature of the Instantaneous Asymmetry in the First Coordination Shell of Liquid Water.” Nature Commun., vol. 4, 1450, 2013. short: T.D. Kühne, R.Z. Khaliullin, Nature Commun. 4 (2013). date_created: 2023-06-26T08:23:49Z date_updated: 2023-06-26T08:24:15Z department: - _id: '304' intvolume: ' 4' language: - iso: eng publication: Nature Commun. status: public title: Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water type: journal_article user_id: '14931' volume: 4 year: '2013' ...