Luca Messina

Exact ab initio transport coefficients in bcc Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron

Ab initio modelling of vacancy-solute dragging in dilute irradiated iron-based alloys

Modeling of the magnetic free energy of self-diffusion in bcc Fe

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model

An object kinetic Monte Carlo model for the microstructure evolution of neutron-irradiated reactor pressure vessel steels

Introducing ab initio based neural networks for transition-rate prediction in kinetic Monte Carlo simulations

Improved atomistic Monte Carlo models based on ab-initio -trained neural networks: Application to FeCu and FeCr alloys

Smart energy models for atomistic simulations using a DFT-driven multifidelity approach.