Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP. - Nicholas D. M. Hine; Peter D. Haynes; Arash A. Mostofi; Chris-Kriton Skylaris; Mike C. Payne (Comput. Phys. Commun., 2009)

Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations. - Nevena Todorova; Adam J. Makarucha; Nicholas D. M. Hine; Arash A. Mostofi; Irene Yarovsky (PLoS Comput. Biol., 2013)