Imperial College London


Faculty of EngineeringDepartment of Materials

Professor of Theory and Simulation of Materials



+44 (0)20 7594 8154a.mostofi Website




Bessemer B332Royal School of MinesSouth Kensington Campus





Arash Mostofi is Professor of Theory and Simulation of Materials in the Departments of Materials and Physics at Imperial College London. He is the Director of the Centre for Doctoral Training on Theory and Simulation of Materials, and Director of the Thomas Young Centre at Imperial College London.

Arash's research is dedicated to the development and application of first-principles modelling tools for the theory and simulation of materials. He is an original author and developer of two major electronic structure simulation codes, ONETEP and Wannier90, used by hundreds of researchers worldwide. His research interests include defects and interfaces in semiconductors, electron transport in nanowires and nanotubes, and the structure and properties of perovskite oxide thin films.

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Ablitt C, McCay H, Craddock S, et al., 2019, Tolerance factor control of uniaxial negative thermal expansion in a layered perovskite, Chemistry of Materials, ISSN:0897-4756

Goodwin Z, Corsetti F, Mostofi A, et al., 2019, Attractive electron-electron interactions from internal screening in magic angle twisted bilayer graphene, Physical Review B: Condensed Matter and Materials Physics, ISSN:1098-0121

Prentice J, Charlton R, Mostofi AA, et al., 2019, Combining embedded mean-field theory with linear-scaling density-functional theory, Journal of Chemical Theory and Computation, ISSN:1549-9618

Pizzi G, Vitale V, Arita R, et al., 2019, Wannier90 as a community code: new features and applications, Journal of Physics: Condensed Matter, ISSN:0953-8984

Goodwin ZAH, Corsetti F, Mostofi AA, et al., 2019, Twist-angle sensitivity of electron correlations in moiré graphene bilayers, Physical Review B, Vol:100, ISSN:2469-9950

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