Master and in theoretical chemistry and computational modelling, obtained the PhD in 2016 in the study of the chemical bond in molecules and solids with topological indices from the quantum theory of atoms in molecules. The thesis was in close cooperation with the Max Planck Institute for Chemical Physics of Solids, where Alfonso Gallo spent 1 year. After that, he moved to Czech Republic and spent 10 months as a post-doc in IOCB of the Czech Academy of Sciences in the group of Non-covalent interactions (Pavel Hobza), participanting in the development of the PM8 semiempiric method for the MOPAC code. He continued his career in Spain, in ITENE, an institute of technology located in Valencia. Gallo worked in this industrial context almost 2 years managing the chemical and nanomaterials modeling area, devoted to the development of databases to build QSAR and machine learning models with predictive capacity with respect to specific chemical activities.

Scientific interests

  • Quantum chemistry
  • Machine learning
  • Chemical modelling
  • Batteries
  • Molecular modelling and design

Scientific career

  • Computational and theoretical chemistry
  • Quantum chemistry calculations
  • Chemoinformatics
  • Scientific programming


  • Best poster jury price in the III Doctoral Conference (University of Oviedo)