This directory contains data and files associated with the publication Zhennan Kou, Dmitry Tolmachev, Maisa Vuorte, and Maria Sammalkorpi, "Interactions of NaCl with cellulose Iβ crystal surfaces and the effect on cellulose hydration: a molecular dynamics study", Cellulose (2024). https://doi.org/10.1007/s10570-024-05831-x Please cite the above publication when using this data set! This work was a part of the Academy of Finland’s Flagship Programme under Projects No. 318890 and 318891 (Competence Center for Materials Bioeconomy, FinnCERES). The work was also supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project no. 346111 (M.S.). Computational resources by CSC IT Centre for Finland and RAMI – RawMatters Finland Infrastructure are also gratefully acknowledged. The authors thank Dr. Suvi Arola and Prof. Markus B. Linder for useful discussions.

2024