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83 Publications
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2016 | Conference Paper | LibreCat-ID: 25
Lass, Michael, et al. “Using Approximate Computing in Scientific Codes.” Workshop on Approximate Computing (AC), 2016.
LibreCat
2015 | Journal Article | LibreCat-ID: 15736
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.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34307
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.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34309
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.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34308
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.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34310
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.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 45767
Calcavecchia, Francesco, et al. “Sign Problem of the Fermionic Shadow Wave Function.” Phys. Rev. E, vol. 90, 053304, 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., vol. 4, 1450, 2013.
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