tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation

Rafael Ravedutti L. Machado, Jonas Schmitt, Sebastian Eibl, Jan Eitzinger, Roland Leißa, Sebastian Hack, Arsène Pérard-Gayot, Richard Membarth, Harald Köstler. tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation. J. Comput. Science, 54:101425, 2021. [doi]

@article{MachadoSEELHPMK21,
  title = {tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation},
  author = {Rafael Ravedutti L. Machado and Jonas Schmitt and Sebastian Eibl and Jan Eitzinger and Roland Leißa and Sebastian Hack and Arsène Pérard-Gayot and Richard Membarth and Harald Köstler},
  year = {2021},
  doi = {10.1016/j.jocs.2021.101425},
  url = {https://doi.org/10.1016/j.jocs.2021.101425},
  researchr = {https://researchr.org/publication/MachadoSEELHPMK21},
  cites = {0},
  citedby = {0},
  journal = {J. Comput. Science},
  volume = {54},
  pages = {101425},
}