Musings on science and game design by James Furness.
I have been an active researcher in the field of computational chemistry and electronic structure theory since 2013. My research has focussed on implementing and developing orbital dependent density functionals for applications in materials science and molecular systems in strong magnetic fields.
Below is a complete list of published work.
- Antiferromagnetic ground state of La2CuO4: A parameter-free ab initio description. Physical Review B, 98, 125140
- An accurate first-principles treatment of doping dependent electronic structure of high-temperature cuprate superconductors. Communications Physics, 1, 11
- Poster: First-principles treatment of high-temperature superconductors. Materials Genome Initiative PI Meeting
- Utilizing Advanced Kinetic Energy Density Based Ingredients for Novel Local Hybrid Mixing Functions. ACS March Meeting
- Utilizing Advanced Kinetic Energy Density Based Ingredients for Novel Local Hybrid Mixing Functions. APS March Meeting
- PhD Thesis – release pending embargo.
- Electron localisation function in current-density-functional theory. Molecular Physics, 8976, 1–8.