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.
Lischner JC, Mostofi AA, Aghajanian M, Tuning electronic properties of transition-metal dichalcogenides via defect charge, Scientific Reports, ISSN:2045-2322
et al., 2018, Control of Uniaxial Negative Thermal Expansion in Layered Perovskites by Tuning Layer Thickness, Frontiers in Chemistry, ISSN:2296-2646
Molinari N, Sutton AP, Mostofi AA, 2018, Mechanisms of reinforcement in polymer nanocomposites., Phys Chem Chem Phys
Corsetti F, Mostofi AA, Lischner J, 2017, First-principles multiscale modelling of charged adsorbates on doped graphene, 2d Materials, Vol:4, ISSN:2053-1583
et al., 2017, Spatially resolving density-dependent screening around a single charged atom in graphene, Physical Review B, Vol:95, ISSN:2469-9950