Our  research  group  focuses  on  quantum  materials  and  virtual  materials design, combining first-principles simulations, data-driven materials discovery,and  multiscale  modelling  to  discover  and  engineer  materials  with  novel electronic and magnetic functionalities.

Quantum  materials  provide  a  unique  platform  where  strong  electronic interactions,  spin–orbit  coupling,  and  relativistic  effects  create  emergent phenomena,  including  unconventional  magnetism,  topological  states,  and exotic quantum phases. Understanding and controlling these properties is essential for developing future information technologies beyond conventional computing.  Our  research  aims  to  bridge fundamental  quantum  materials physics and technological applications, with particular emphasis on materials for neuromorphic computing and quantum computing.

A central goal of our group is to develop predictive approaches for the virtual design of quantum materials, connecting atomic-scale understanding with device-relevant  functionalities. Topological  spin  textures offer  promising routes towards neuromorphic computing due to their stability, high information density, and nonlinear dynamical behaviour, making them attractive building blocks for future energy-efficient information technologies. Complex quantum-material interfaces are key platforms for quantum computing, where disorder,defects,  and  structural  inhomogeneities  strongly  influence  device performance  and  require large-scale  simulations  of  realistic  systems containing thousands of atoms.