Computer simulation encompasses a broad spectrum of techniques, operating across various scales – from electronic structure calculations and molecular dynamics to finite element methods for modeling macroscopic properties. What these methods have in common is that they form a “digital microscope” that can look beyond what is possible using experimental techniques alone. This session focuses on the application of computational methods to study all aspects of biomass, including properties in its native state, during processing, and, not the least, the chemistry, physics and mechanics of bio-based materials.