Head of Group
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Prof Nicholas M. Harrison
Personal details
Prof Nicholas M. Harrison Chair of Computational Materials ScienceSend email+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
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Dr Giuseppe Mallia
Location
Office B321
Bessemer Building
South Kensington Campus
Research Interests
CRYSTAL on High Performance Computers
Defects and magnetism of materials
Surface chemistry
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Dr Ehsan Aleem Ahmad
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
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Mr Bruno Camino
Location
Office B321
Bessemer Building
South Kensington Campus
Research Interests
Designing new materials for photocathodes
Photoemission Simulations
Density Functional Theory
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Mr Andrew P. McMahon
Location
Office B321
Bessemer Building
South Kensington Campus
Research Interests
Hybrid/inorganic metal halide perovskites.
DFT, Monte Carlo, Molecular Dynamics
Multifunctional materials, multiferroics.
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Mr Markus Peter Tautschnig
Location
Office B321
Bessemer Building
South Kensington Campus
Research Interests
Corrosion scale growth and metal oxidation
Non-equilibrium thermodynamics
C++ programming
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Mr David Carrasco de Busturia
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
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Miss Mariana Hildebrand
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
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Mr Christopher Sewell
Location
Office B321
Bessemer Building
South Kensington Campus
Research Interests
Corrosion Passivation
Thin film formation
Solid state diffusion