Head of Group

  • Prof Nicholas M. Harrison

    Prof. Nicholas M. Harrison

    Personal details

    Prof Nicholas M. Harrison Chair of Computational Materials Science

    +44 (0)20 7594 5884

    Research Interests

    Electronic correlation in condensed matter

    Materials optimisation and design

    Molecular science and engineering  

    Location

    Office B339

    Bessemer Building

    South Kensington Campus

Research Fellows

  • Dr Giuseppe Mallia

    Dr. Giuseppe Mallia

    Personal details

    Dr Giuseppe Mallia Computational Chemistry Specialist

    Research Interests

    CRYSTAL on High Performance Computers

    Defects and magnetism of materials

    Surface chemistry

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Dr Ehsan Aleem Ahmad

    Ehsan A Ahmad

    Personal details

    Dr Ehsan Aleem Ahmad Research Associate

    Research Interests

    DFT calculations of correlated materials

    Structural and electrochemical characterization catalysts

    Ab initio thermodynamics

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

PhD Students

  • Mr Vincent Huair-Yu Chen

    Vincent

    Personal details

    Mr Vincent Huair-Yu Chen PhD Student

    Research Interests

    Development of QM/MM methods

    Solid-liquid interfaces

    Surface chemistry of CuFeS2

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Mr Bruno Camino

    Bruno Camino

    Personal details

    Mr Bruno Camino PhD Student

    Research Interests

    Designing new materials for photocathodes

    Photoemission Simulations

    Density Functional Theory

    Location

    Office B321 

    Bessemer Building

    South Kensington Campus

  • Mr Andrew P. McMahon

    Andrew McMahon

    Personal details

    Mr Andrew P. McMahon PhD Student

    Research Interests

    Hybrid/inorganic metal halide perovskites.

    DFT, Monte Carlo, Molecular Dynamics

    Multifunctional materials, multiferroics.

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Mr Markus Peter Tautschnig

    RequiredMarkus

    Personal details

    Mr Markus Peter Tautschnig PhD Student

    Research Interests

    Corrosion scale growth and metal oxidation

    Non-equilibrium thermodynamics

    C++ programming

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Mr David Carrasco de Busturia

    David Carrasco de Busturia

    Personal details

    Mr David Carrasco de Busturia PhD Student

    Research Interests

    Electronic structure calculations in molecular and condensed phases

    Reaction mechanisms in condensed phases

    Liquid-solid interface

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Miss Mariana Hildebrand

    Mariana

    Personal details

    Miss Mariana Hildebrand PhD Student

    Research Interests

    Band gap tuning of graphene by chemical functionalization with halogenated carbenes

    Effect of rippling on the electronic structure of graphene

    Location

    Office B321

    Bessemer Building

    South Kensington Campus

  • Mr Christopher Sewell

    Chris Sewell

    Personal details

    Mr Christopher Sewell PhD Student

    Research Interests

    Corrosion Passivation

    Thin film formation

    Solid state diffusion

    Location

    Office B321

    Bessemer Building

    South Kensington Campus