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Jelle Wieme

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Journal Articles

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2019
[j2]
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  dblp key:
  - 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)
2018
[j1]
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  - journals/jcc/VanduyfhuysVWWV18
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Louis Vanduyfhuys, Steven Vandenbrande, Jelle Wieme, Michel Waroquier, Toon Verstraelen, Veronique Van Speybroeck:
Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks. J. Comput. Chem. 39(16): 999-1011 (2018)

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