i-PI 2.0: A universal force engine for advanced molecular simulations
V. Kapil, M. Rossi, O. Marsalek, R. Petraglia, Y. Litman, T. Spura, B. Cheng, A. Cuzzocrea, R.H. Meißner, D.M. Wilkins, B.A. Helfrecht, P. Juda, S.P. Bienvenue, W. Fang, J. Kessler, I. Poltavsky, S. Vandenbrande, J. Wieme, C. Corminboeuf, T.D. Kühne, D.E. Manolopoulos, T.E. Markland, J.O. Richardson, A. Tkatchenko, G.A. Tribello, V. Van Speybroeck, M. Ceriotti, Computer Physics Communications (2018) 214–223.
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Journal Article
| Published
| English
Author
Kapil, Venkat;
Rossi, Mariana;
Marsalek, Ondrej;
Petraglia, Riccardo;
Litman, Yair;
Spura, Thomas;
Cheng, Bingqing;
Cuzzocrea, Alice;
Meißner, Robert H.;
Wilkins, David M.;
Helfrecht, Benjamin A.;
Juda, Przemysław
All
All
Publishing Year
Journal Title
Computer Physics Communications
Page
214-223
ISSN
LibreCat-ID
Cite this
Kapil V, Rossi M, Marsalek O, et al. i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications. 2018:214-223. doi:10.1016/j.cpc.2018.09.020
Kapil, V., Rossi, M., Marsalek, O., Petraglia, R., Litman, Y., Spura, T., … Ceriotti, M. (2018). i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications, 214–223. https://doi.org/10.1016/j.cpc.2018.09.020
@article{Kapil_Rossi_Marsalek_Petraglia_Litman_Spura_Cheng_Cuzzocrea_Meißner_Wilkins_et al._2018, title={i-PI 2.0: A universal force engine for advanced molecular simulations}, DOI={10.1016/j.cpc.2018.09.020}, journal={Computer Physics Communications}, author={Kapil, Venkat and Rossi, Mariana and Marsalek, Ondrej and Petraglia, Riccardo and Litman, Yair and Spura, Thomas and Cheng, Bingqing and Cuzzocrea, Alice and Meißner, Robert H. and Wilkins, David M. and et al.}, year={2018}, pages={214–223} }
Kapil, Venkat, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, et al. “I-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations.” Computer Physics Communications, 2018, 214–23. https://doi.org/10.1016/j.cpc.2018.09.020.
V. Kapil et al., “i-PI 2.0: A universal force engine for advanced molecular simulations,” Computer Physics Communications, pp. 214–223, 2018.
Kapil, Venkat, et al. “I-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations.” Computer Physics Communications, 2018, pp. 214–23, doi:10.1016/j.cpc.2018.09.020.
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