Professor Arash Mostofi

I am Professor of Theory and Simulation of Materials (TSM) in the Departments of Materials and Physics at Imperial College London. My research is dedicated to the development and application of first-principles modelling tools for TSM. I’m an original author and developer of two major electronic structure simulation codes, ONETEP and Wannier90, used by hundreds of researchers worldwide. My research interests include the electronic and optical properties of 2D materials and twisted 2D heterostructures, adsorbates, defects and interfaces in materials, and multifunctional perovskite and layered perovskite oxides.

I graduated with a first class degree in Natural Sciences (2000) and a PhD in Condensed Matter Theory (2004), both from the University of Cambridge. Before joining Imperial College London in 2007 I was a Junior Research Fellow in Cambridge and a post-doctoral research associate at the Massachusetts Institute of Technology.

I’m the Director of the Thomas Young Centre at Imperial, the London Centre for Theory and Simulation of Materials and Molecules; I sit on the Management Board of the Materials and Molecular Modelling Hub, which hosts the UK’s dedicated national Tier-2 HPC facilities (first Thomas and currently Young) for materials and molecular modelling; and I’m a Trustee of Psi-k, a Europe-based, worldwide network of researchers working on the advancement of first-principles computational materials science.

In my spare time I enjoy tennis, hiking and learning Russian.

See my profile on Google Scholar and ResearcherID.

Some genealogical fun

Here is our group’s lineage (with thanks to the Mathematics Genealogy Project and Physics Tree). Nobel prize winners are indicated by an asterisk.