Hi there! 👋

I’m a PhD student at the University of Manchester with a background in theoretical chemistry. Currently exploring programming with C, Fortran and Python and developing reduced scaling correlated wavefunction methods for improved biomolecular modelling.

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💻 Projects & Development

• ONETEP – Implementing double-hybrid exchange–correlation functionals into the linear scaling DFT code
• TUNA – A streamlined quantum chemistry program for atoms and diatomics, written in Python
• C-TUNA – Porting TUNA into the minimal and efficient C language for high performance computing clusters, exploiting symmetry

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🌐 Links

• LinkedIn: /in/harry-brough/
• Google Scholar: Harry Brough

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📈 Stats & Activity

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