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Thomas Spura

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Journal Articles

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2019
[j2]
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  - journals/cphysics/KapilRMPLSCCMWH19
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  - https://dblp.org/rec/journals/cphysics/KapilRMPLSCCMWH19
Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemyslaw Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Michele Ceriotti:
i-PI 2.0: A universal force engine for advanced molecular simulations. Comput. Phys. Commun. 236: 214-223 (2019)
2016
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Andreas Köster, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, Thomas D. Kühne:
Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations. J. Comput. Chem. 37(19): 1828-1838 (2016)

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