Computational Catalysis and Mathematical Modelling

  • Forecasting Model
  • Molecular Catalysis
  • Oxide & Zeolite Catalysts
  • Density Functional Theory
  • Optical and X-Ray Spectroscopy
  • Autocatalytic Reactions and Order Creation
  • Quantum mechanics/Molecular mechanics (QM/MM)
  • Scaling, Dimensional Analysis and Agent Based Modelling

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