This directory contains data and files associated with the publicationZhennan 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.

This data set contains data and files belonging to the publicationHongwei Li, Dmitry Tolmachev, Piotr Batys, Maria Sammalkorpi and Jodie L. Lutkenhaus, "Solvent-responsive glass transition behavior of polyelectrolyte complex", Macromolecules (2025).https://doi.org/10.1021/acs.macromol.4c02417Please cite the above publication when using this data set or the simulation files.This work is supported by the National Science Foundation under Grant No. 1905732, Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project nos. 346111 (M.S.) and 364205 (M.S.), Academy of Finland project no. 359180 (M.S) and Novo Nordisk Foundation under project no. NNF22OC0074060 (M.S.). We are grateful for the support by the FinnCERES Materials Bioeconomy Ecosystem. Computational resources by the CSC IT Centre for Science, Finland, RAMI – RawMatTERS Finland Infrastructure, and Poland’s high-performance computing infrastructure PLGrid (HPC Centers: ACK Cyfronet AGH), grant no. PLG/2023/016884, are also gratefully acknowledged.

This directory contains data and files associated with the publicationZhennan Kou, Dmitry Tolmachev, Maisa Vuorte & Maria Sammalkorpi, "Component size dependent lignin-carbohydrate complex adsorption at crystalline cellulose surfaces.", Cellulose (2025).https://doi.org/10.1007/s10570-024-06329-2Please 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 forMaterials Bioeconomy, FinnCERES). The work was also supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project nos. 346111 and 364205 (M.S.), Academy of Finland via project no. 359180 (M.S.) and Kaute Foundation (Z.K.).

This data set contains data and files belonging to the publication Dmitry Tolmachev, Maaria Malkamäki, Markus B. Linder, and Maria Sammalkorpi, "Spidroins under the influence of alcohol: effect of ethanol on secondary structure and molecular level solvation of silk-like proteins", Biomacromolecules (2023). https://doi.org/10.1021/acs.biomac.3c00637 Please cite the above publication when using this data set or the simulation files. This work has been supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project nos. 346105 (M.L.) and 346111 (M.S.) and, Novo Nordisk Foundation under project nos. NNF20OC0061306 (M.L.) and NNF22OC0074060 (M.S.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI -- RawMatters Finland Infrastructure are also gratefully acknowledged.