Imperial College London

DrEhsan AleemAhmad

Faculty of Natural SciencesDepartment of Chemistry

Research Associate







B321Bessemer BuildingSouth Kensington Campus





Dr. Ehsan Aleem Ahmad is a post-doctoral researcher in the Computational Materials Science Group of Prof. Nicholas Harrison, which is based within the Department of Chemistry, Imperial College London.

Dr. Ahmad's current research is aimed at the use of computer simulations to aid the optimisation of materials and the discovery of new functional materials. Current areas of interest include:

  • Density Functional Theory calculations of strongly correlated materials
  • Structural and electrochemical characterization of catalysts
  • Materials for solar energy conversion 
  • Ab initio Thermodynamics



Ahmad EA, Tileli V, Kramer D, et al., 2015, Optimizing Oxygen Reduction Catalyst Morphologies from First Principles, Journal of Physical Chemistry C, Vol:119, ISSN:1932-7447, Pages:16804-16810

Syrnianakis E, Malko D, Ahmad E, et al., 2015, Electrochemical Characterization and Quantified Surface Termination Obtained by Low Energy Ion Scattering and X-ray Photoelectron Spectroscopy of Orthorhombic and Rhombohedral LaMnO3 Powders, Journal of Physical Chemistry C, Vol:119, ISSN:1932-7447, Pages:12209-12217

Ahmad EA, Mallia G, Kramer D, et al., 2013, The stability of LaMnO3 surfaces: a hybrid exchange density functional theory study of an alkaline fuel cell catalyst, Journal of Materials Chemistry A, Vol:1, ISSN:2050-7488, Pages:11152-11162

Ahmad EA, Mallia G, Kramer D, et al., 2012, Comment on "2D Atomic Mapping of Oxidation States in Transition Metal Oxides by Scanning Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy", Physical Review Letters, Vol:108, ISSN:0031-9007

Ahmad EA, Liborio L, Kramer D, et al., 2011, Thermodynamic stability of LaMnO3 and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst, Physical Review B, Vol:84, ISSN:2469-9950

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