PEOPLE

Research Summary:

Arash Mostofi leads a research group that is dedicated to the application and development of theory and computational simulation tools for solving problems in materials and condensed matter systems. The state-of-the-art computational tools that are developed in his group are shared with the wider scientific community, either through commercial, academic or general public (open-source) license, to benefit the pursuit and dissemination of knowledge in this field.

Current research interests:
Thermoelectric properties of semiconducting nanostructures
Defects in nanostructures and at interfaces
Multi-functional oxide materials, ferroelectrics
Polymer filtration membranes
Spin transport in organic thin films
Development of linear-scaling density-functional theory and local orbital methods for large-scale simulations

Codes:
ONETEP linear-scaling DFT
Wannier90 for computing maximally-localised Wannier functions

Keywords:

Energy Conversion, Energy Materials, Organic Electronics, Spintronics, Conductivity (Electrical), Conductivity (Thermal), Defects In Solids, Dispersion Interactions, Nanowires, Nuclear Magnetic Resonance, Point Defects, Strongly Correlated Systems, Thermoelectric Effect, Coarse Graining Techniques, Linear-Scaling DFT, ONETEP, Order-N DFT, Petascale Computing, Wannier Functions, Functional Oxides, Membranes, Nanostructures, Thin Films, Semiconductors, Transport in nanosystems, Ferroelectric materials

Group: