Calculations show single cellulose chains twist away from a flat ribbon conformation independent of degree of polymerization and water solvation.

The twisted structure has multiple periodicites, which suggests a possible method of propagation to the macroscopic scale.

Energy minimization of cellulose crystallites distorts the crystals into twisted rods. The degree of twist of the crystal is dependent on the cross-section of the crystal.

When solvated with water, the handedness of the twist of small crystals can reverse suggesting small crystals will spontaneously solubilize.

Simulated powder X-ray diffraction suggest small crystals lose crystallinity.