NTBuilder: Commensurate Construction of Nanotubes from Arbitrary Two-Dimensional Crystals and a Catalog of 20 Million Structures

This work develops a general mathematical theory for constructing nanotubes from arbitrary 2D crystals, addressing the limitation that existing methods were derived specifically for graphene. The authors implement this theory in NTBuilder, an open-source Python library with both desktop and web interfaces. The tool enables precise calculation of exact unit cells for tubular structures and provides a comprehensive catalog of 20 million distinct nanotube configurations. This resource supports computational materials science research including molecular dynamics simulations and DFT calculations.