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.
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}
}
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