i-PI 2.0: A universal force engine for advanced molecular simulations

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. Computer Physics Communications, 236:214-223, 2019. [doi]

@article{KapilRMPLSCCMWH19,
  title = {i-PI 2.0: A universal force engine for advanced molecular simulations},
  author = {Venkat Kapil and Mariana Rossi and Ondrej Marsalek and Riccardo Petraglia and Yair Litman and Thomas Spura and Bingqing Cheng and Alice Cuzzocrea and Robert H. Meißner and David M. Wilkins and Benjamin A. Helfrecht and Przemyslaw Juda and Sébastien P. Bienvenue and Wei Fang and Jan Kessler and Igor Poltavsky and Steven Vandenbrande and Jelle Wieme and Michele Ceriotti},
  year = {2019},
  doi = {10.1016/j.cpc.2018.09.020},
  url = {https://doi.org/10.1016/j.cpc.2018.09.020},
  researchr = {https://researchr.org/publication/KapilRMPLSCCMWH19},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {236},
  pages = {214-223},
}