Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems

Josh Fass, David A. Sivak, Gavin E. Crooks, Kyle Beauchamp, Benedict J. Leimkuhler, John D. Chodera. Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems. Entropy, 20(5):318, 2018. [doi]

@article{FassSCBLC18,
  title = {Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems},
  author = {Josh Fass and David A. Sivak and Gavin E. Crooks and Kyle Beauchamp and Benedict J. Leimkuhler and John D. Chodera},
  year = {2018},
  doi = {10.3390/e20050318},
  url = {https://doi.org/10.3390/e20050318},
  researchr = {https://researchr.org/publication/FassSCBLC18},
  cites = {0},
  citedby = {0},
  journal = {Entropy},
  volume = {20},
  number = {5},
  pages = {318},
}