David Mora-Fonz

David Mora-Fonz

Honorary Research Fellow

Universtiy College London


I am computational materials chemist working as a Research Fellow in the Physics & Astronomy Department at University College London. I am interested in using computational modelling techniques to study materials for energy applications, electronics and catalysis.

I obtained my Bachelor’s degree in Chemical Engineer at UJAT (Mexico) in 2011. In 2012, I moved to London to start my PhD in Computational Chemistry under the supervision of Prof Richard Catlow at UCL. I received my PhD in 2016 and continued to work in collaboration with the UK Catalysis Hub at Harwell until 2017. From 2017, I am working as Research Associate in the Department of Physics & Astronomy at UCL as part of the group of Prof Alexander Shluger.

My main research interests can be summarised under the headings interatomic potentials development, metal oxides, surface science, catalysis and global optimisation methods. During my PhD, my particular interest was directed at the clean and defective surfaces of metal oxides and their interaction with supported nanoparticles for catalytic purposes. More recently, I have been working on modelling amorphous materials for applications in electronics and photocatalysis.

My likes include chess, travelling, coffee, reading and real ale.


  • Amorphous materials
  • Metal oxides surfaces
  • Catalysis
  • Development of interatomic potentails
  • Semiconductor materials


  • PhD in Computational Chemistry, 2016

    University College London, UK

  • BSc in Chemical Engineering, 2010

    Universidad Juárez Autónoma de Tabasco, México



Research Associate

University College London

Apr 2017 – Present London, UK

Responsibilities include:

  • Modelling amorphous oxides
  • Developing of interatomic potentials for layered materials and oxide semiconductors
  • Tutoring postgraduate students
  • Teaching

Postdoctoral Researcher

UK Catalysis Hub at Harwell

Apr 2016 – Mar 2017 Oxfordshire, UK
Modelling of supported nanoparticles for catalytic applications

Recent Publications

If you would like to see the entire list, please go to my Google Scholar.

Making amorphous ZnO: Theoretical predictions of its structure and stability

ZnO is a transparent semiconductor with optoelectronic, thermoelectric and sensor applications, where using amorphous thin films …

Modeling of Intrinsic Electron and Hole Trapping in Crystalline and Amorphous ZnO

Recent advances in ultrafast liquid quenching and deposition of thin films on cold substrates make growing amorphous (a)-ZnO films …

Real and virtual polymorphism of titanium selenide with robust interatomic potentials

The first successful pairwise potential for a layered material, TiSe$_2$, has been parameterised to fit the experimental data, using a …


  • david.fonz.11@ucl.ac.uk
  • Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT
  • Please email to book an appointment
  • DM Me