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83 Publications
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2018 | Journal Article | LibreCat-ID: 15727
Kodalle, Tim, Ramya Kormath Madam Raghupathy, Tobias Bertram, Natalia Maticiuc, Hasan A. Yetkin, René Gunder, Rutger Schlatmann, Thomas Kühne, Christian A. Kaufmann, and S. Hossein Mirhosseini. “Properties of Co‐Evaporated RbInSe 2 Thin Films.” Physica Status Solidi (RRL) – Rapid Research Letters, 2018. https://doi.org/10.1002/pssr.201800564.
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| DOI
2018 | Conference Paper | LibreCat-ID: 1590
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.
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| DOI
| arXiv
2016 | Conference Paper | LibreCat-ID: 169
Kühne, Thomas, Heiko Hamann, Svetlana Arifulina, and Gregor Engels. “Patterns for Constructing Mutation Operators: Limiting the Search Space in a Software Engineering Application.” In Proceedings of the 19th European Conference on Genetic Programming (EuroGP 2016), 278--293. LNCS 9594, 2016. https://doi.org/10.1007/978-3-319-30668-1_18.
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| Files available
| DOI
2016 | Journal Article | LibreCat-ID: 15734
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.
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2016 | Journal Article | LibreCat-ID: 45766
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).
LibreCat
2016 | Conference Paper | LibreCat-ID: 25
Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing in Scientific Codes.” In Workshop on Approximate Computing (AC), 2016.
LibreCat
2015 | Journal Article | LibreCat-ID: 15736
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.
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2015 | Journal Article | LibreCat-ID: 34307
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.
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2015 | Journal Article | LibreCat-ID: 34309
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.
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| DOI
2015 | Journal Article | LibreCat-ID: 34308
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.
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2015 | Journal Article | LibreCat-ID: 34310
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.
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2014 | Journal Article | LibreCat-ID: 45767
Calcavecchia, Francesco, Francesco Pederiva, Malvin H. Kalos, and Thomas D. Kühne. “Sign Problem of the Fermionic Shadow Wave Function.” Phys. Rev. E 90 (2014).
LibreCat
2013 | Journal Article | LibreCat-ID: 45769
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).
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