The interaction between water, wood and mechanical load is not fully understood. Much of the research performed in this area was performed on large specimens of wood in the cm range. This project focusses on Molecular Dynamics (MD) simulations of lignin, hemicellulose as well as cellulose interaction with water and mechanical load. The studies will provide parameters and insights into the hygromechanical behaviour of wood at atomistic level. The simulations are part of a larger project, which combines the results of the MD simulations with higher scale simulations using the finite element method. This provides a multi-scale inside into processes occurring during delignification. The project is funded by a VR starting grant and is part of Treesearch.