Head of Group

  • Prof Nicholas M. Harrison

    Personal details

    Prof Nicholas M. Harrison Chair of Computational Materials Science

    +44 (0)20 7594 5884

    Location

    Office B339

    Bessemer Building

    South Kensington Campus

    Research Interests

    Electronic correlation in condensed matter

    Materials optimisation and design

    Molecular science and engineering  

Research Fellows

  • Dr Giuseppe Mallia

    Personal details

    Dr Giuseppe Mallia Computational Chemistry Specialist

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    CRYSTAL on High Performance Computers

    Defects and magnetism of materials

    Surface chemistry

  • Dr Ehsan Aleem Ahmad

    Personal details

    Dr Ehsan Aleem Ahmad Research Associate

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    DFT calculations of correlated materials

    Structural and electrochemical characterization catalysts

    Ab initio thermodynamics

PhD Students

  • Mr Bruno Camino

    Personal details

    Mr Bruno Camino PhD Student

    Location

    Office B321 

    Bessemer Building

    South Kensington Campus

    Research Interests

    Designing new materials for photocathodes

    Photoemission Simulations

    Density Functional Theory

  • Mr Andrew P. McMahon

    Personal details

    Mr Andrew P. McMahon PhD Student

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    Hybrid/inorganic metal halide perovskites.

    DFT, Monte Carlo, Molecular Dynamics

    Multifunctional materials, multiferroics.

  • Mr Markus Peter Tautschnig

    Personal details

    Mr Markus Peter Tautschnig PhD Student

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    Corrosion scale growth and metal oxidation

    Non-equilibrium thermodynamics

    C++ programming

  • Mr David Carrasco de Busturia

    Personal details

    Mr David Carrasco de Busturia PhD Student

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    Electronic structure calculations in molecular and condensed phases

    Reaction mechanisms in condensed phases

    Liquid-solid interface

  • Miss Mariana Hildebrand

    Personal details

    Miss Mariana Hildebrand PhD Student

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    Band gap tuning of graphene by chemical functionalization with halogenated carbenes

    Effect of rippling on the electronic structure of graphene

  • Mr Christopher Sewell

    Personal details

    Mr Christopher Sewell PhD Student

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

    Research Interests

    Corrosion Passivation

    Thin film formation

    Solid state diffusion

Computational Materials Science

Computational Materials Science