A Picture is Worth a Thousand Timesteps: Excess Entropy Scaling for Rapid Estimation of Diffusion Coefficients in Molecular-Dynamics Simulations of Fluids. Ghaffarizadeh, S. A. & Wang, G. J. Journal of Chemical Theory and Computation, 20(23):10362–10370, American Chemical Society (ACS), November, 2024.
A Picture is Worth a Thousand Timesteps: Excess Entropy Scaling for Rapid Estimation of Diffusion Coefficients in Molecular-Dynamics Simulations of Fluids [link]Paper  doi  bibtex   
@article{GhaffarizadehWang2024,
  title = {A Picture is Worth a Thousand Timesteps: Excess Entropy Scaling for Rapid Estimation of Diffusion Coefficients in Molecular-Dynamics Simulations of Fluids},
  volume = {20},
  ISSN = {1549-9626},
  url = {http://dx.doi.org/10.1021/acs.jctc.4c00760},
  DOI = {10.1021/acs.jctc.4c00760},
  number = {23},
  journal = {Journal of Chemical Theory and Computation},
  publisher = {American Chemical Society (ACS)},
  author = {Ghaffarizadeh,  S. Arman and Wang,  Gerald J.},
  year = {2024},
  month = nov,
  pages = {10362–10370}
}

Downloads: 0