Imperial College London

DrEhsan AleemAhmad

Faculty of Natural SciencesDepartment of Chemistry

Research Associate







109Molecular Sciences Research HubWhite City 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



Rafols i Belles C, Selim S, Harrison NM, et al., 2019, Beyond band bending in the WO3/BiVO4 heterojunction: insight from DFT and experiment, Sustainable Energy and Fuels, Vol:3, ISSN:2398-4902, Pages:264-271

Joshi GR, Cooper K, Zhong X, et al., 2018, Temporal evolution of sweet oilfield corrosion scale: Phases, morphologies, habits, and protection, Corrosion Science, Vol:142, ISSN:0010-938X, Pages:110-118

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:1932-7455, Pages:16804-16810

Kucernak ARJ, 2015, Electrochemical Characterization and Quantified Surface Termination Obtained by LEIS and XPS of Orthorhombic and Rhombohedral LaMnO<sub>3</sub> Powders, Journal of Physical Chemistry C, Vol:119, ISSN:1932-7455, Pages:12209-12217

Ahmad EA, Mallia G, Kramer D, et al., 2013, Erratum: The stability of LaMnO<inf>3</inf>surfaces: A hybrid exchange density functional theory study of an alkaline fuel cell catalyst (Journal of Materials Chemistry A (2013) (DOI:10.1039/c3ta11382e)), Journal of Materials Chemistry A, Vol:1, ISSN:2050-7488

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