Classical Molecular Dynamics Simulations of Surface Modifications Triggered by a Femtosecond Laser Pulse

This work is devoted to classical molecular dynamics simulations of surface modifications (craters) drilled by single femtosecond laser pulses in silicon and diamond, materials relevant for numerous industrial applications. We propose a methodology paving the way towards a significant decrease in the simulation computational costs, which could also enable a precise estimation of the craters’ size and shape.