Bravais
Interactive 3D crystal-structure visualisation and surface-slab generation. Load CIF or POSCAR, build slabs from any Miller index, export back to POSCAR.
About Bravais →Ali Abbasi
Doctoral researcher at Loughborough University. I study actinide-oxide surfaces with density functional theory and build software for the routine, repetitive parts of slab-DFT work.
My current focus is plutonium dioxide (PuO₂): its bulk and surface properties, gas-adsorption behaviour, and what those mean for the long-term safety of nuclear-waste storage. Read more about the research →
Software
Two tools built around the same DFT workflows.
SURP
Lightweight Python toolkit for VASP-based DFT surface workflows: slab generation, doping, post-processing of OUTCARs into spreadsheets.
About SURP →Water-layer GA
A genetic algorithm for finding the lowest-energy arrangements of water molecules on oxide surfaces. Surrogate energy for the search, DFT for validation.
About the GA →Contact
For research enquiries, software questions, commercial licensing of Bravais, or anything else.
- Email a.abbasi@lboro.ac.uk
- University Loughborough profile →
- Office W2.43, Sir David Davies Building, Loughborough University