If you use this code in your work, please cite:
@article{Usler2023,
author = {Usler, Adrian L. and Kemp, Dennis and Bonkowski, Alexander and De Souza, Roger A.},
title = {A general expression for the statistical error in a diffusion coefficient obtained from a solid‐state molecular‐dynamics simulation},
journal = {Journal of Computational Chemistry},
volume = {44},
number = {14},
pages = {1347--1359},
year = {2023},
publisher = {Wiley Online Library}
keywords = {diffusion, kinetic Monte Carlo, kMC, mean squared displacement, MSD, molecular dynamics, MD, statistical error},
doi = {10.1002/jcc.27090},
}