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