wannier90: A tool for obtaining maximally-localised Wannier functions. - Arash A. Mostofi; Jonathan R. Yates; Young-Su Lee; Ivo Souza; David Vanderbilt; Nicola Marzari (Comput. Phys. Commun., 2008)

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)

Automated quantum conductance calculations using maximally-localised Wannier functions. - Matthew Shelley; Nicolas Poilvert; Arash A. Mostofi; Nicola Marzari (Comput. Phys. Commun., 2011)

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)

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions. - Arash A. Mostofi; Jonathan R. Yates; Giovanni Pizzi; Young-Su Lee; Ivo Souza; David Vanderbilt; Nicola Marzari (Comput. Phys. Commun., 2014)

Electronic transport calculations in the onetep code: Implementation and applications. - Robert A. Bell; Simon M.-M. Dubois; Michael C. Payne; Arash A. Mostofi (Comput. Phys. Commun., 2015)

Corrigendum to "Total-energy calculations on a real space grid with localised functions and a plane-wave basis" [Comput. Phys. Comm. 147/3 (2002) 788-802]. - Arash A. Mostofi; Chris-Kriton Skylaris; Peter D. Haynes; Mike C. Payne (Comput. Phys. Commun., 2020)