About Me

I am an interdisciplinary researcher at the intersection of machine learning and electronic structure theory for modelling complex catalytic materials. I am passionate about accelerating the transition to a sustainable energy future through advances in scientific computing, guided by fundamental theory in physics and chemistry.

I have recently completed my PhD in computational chemistry at the Cardiff Catalysis Institute, supervised by Dr Andrew Logsdail, in collaboration with Johnson Matthey and bp. I previously completed my MSc in molecular modelling at University College London under the supervision of Sir Richard Catlow, and my MEng in chemical engineering at the University of Birmingham under the supervision of Professor Gary Leeke.

Research Interests and Experience

• Electronic structure modelling of defects and polarons in complex oxides, including DFT+U and hybrid-DFT.
• Accelerating materials modelling using deep learning, including exchange-correlation functionals and machine learned interatomic potentials.
• Integrated workflows for scientific machine learning, incorporating symbolic regression, support vector machines, and Bayesian optimisation.
• Applied large language models for high-dimensional optimisation problems and generative molecular modelling.
• High-performance computing on CPU and GPU nodes; validating theoretical predictions and extracting insights from experimental characterisation.

Contacting Me

I am always happy to chat with colleagues and students who share an interest in this work. If you would like to learn more, collaborate, or seek guidance on related topics, please feel free to contact me by email or connect with me on LinkedIn.