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83 Publications
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2018 | Journal Article | LibreCat-ID: 15727
Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., Schlatmann, R., Kühne, T., Kaufmann, C. A., & Mirhosseini, S. H. (2018). Properties of Co‐Evaporated RbInSe 2 Thin Films. Physica Status Solidi (RRL) – Rapid Research Letters, Article 1800564. https://doi.org/10.1002/pssr.201800564
LibreCat
| DOI
2018 | Conference Paper | LibreCat-ID: 1590
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
LibreCat
| DOI
| arXiv
2016 | Conference Paper | LibreCat-ID: 169
Kühne, T., Hamann, H., Arifulina, S., & Engels, G. (2016). 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) (pp. 278--293). https://doi.org/10.1007/978-3-319-30668-1_18
LibreCat
| Files available
| DOI
2016 | Journal Article | LibreCat-ID: 15734
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
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 45766
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.
LibreCat
2016 | Conference Paper | LibreCat-ID: 25
Lass, M., Kühne, T., & Plessl, C. (2016). Using Approximate Computing in Scientific Codes. Workshop on Approximate Computing (AC).
LibreCat
2015 | Journal Article | LibreCat-ID: 15736
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
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34307
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
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34309
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
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34308
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
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34310
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
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| DOI
2014 | Journal Article | LibreCat-ID: 45767
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.
LibreCat
2013 | Journal Article | LibreCat-ID: 45769
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.
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