A general expression for the statistical error in a diffusion coefficient obtained from a solid-state molecular-dynamics simulation

Adrian L. Usler, Dennis Kemp, Alexander Bonkowski, Roger A. De Souza. A general expression for the statistical error in a diffusion coefficient obtained from a solid-state molecular-dynamics simulation. Journal of Computational Chemistry, 44(14):1347-1359, 2023. [doi]

Authors

Adrian L. Usler

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Dennis Kemp

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Alexander Bonkowski

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Roger A. De Souza

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