Research
Research interests and active topics.
- Two-dimensional materials
- Fundamental DFT modelling of 2D magnets, metals and semiconductors
- High-throughput DFT screening of emerging 2D compounds
- Twistronics
- Twistronic effects in incommensurate heterostructures
- Wigner crystallisation, QAHE & other correlated phenomena in twisted TMDs and mirror-twin boundaries
- Stacking ferromagnetism / ferroelectricity / multiferroics
- Engineering stacked multiferroic interfaces
- Altermagnetism & linear multiferroic effects via stacked monolayer anti/ferromagnets
- Machine-learning potentials
- Graph-neural-network interatomic potentials
- Charge-density prediction
- Bayesian optimisation for MLIP and CD-ML models