Graded polycrystalline graphene as thermal diodes
Molecular-dynamics heat-transport and phonon simulations identify the competing mechanisms behind thermal rectification in graded polycrystalline graphene 
Research
Before joining Gradyent, I worked on the modelling and simulation of materials and electronic devices, from atomistic simulations to device scale. At TU Eindhoven (2023–2025) I worked with IBM Research in an EU consortium project on the modelling and simulation of ReRAM devices, led its device modelling and simulation work package, and released two open-source packages: LAMMPSKit and LAMMPS-CTIP-EChemDID. The filament-forming simulations run with the second package are in a preprint on arXiv. Selected earlier work is below.Anisotropic failure criteria
A calibrated anisotropic failure criterion for hBN, with stress-space measures of its accuracy 
Ripples that strengthen and toughen hBN
HRTEM observations and molecular-dynamics simulations of ripples in hexagonal boron nitride 
Electron energy-loss spectrum analysis
Tilt-series EELS of multilayer hBN compared with theory 