AbstractUnderstanding physical processes accompanying ablation is necessary for the optimal use of Femtosecond Laser pulse material processing. The current work describes the implementation of a molecular dynamics based approach, developed for simulating the Laser ablation process of iron at a molecular level. A measure of material removal is formulated and utilized to estimate the effect of energy and pulse width on material removal. Evaluation of the model is based on comparison with experimental results. Ablation efficiency dependence of Laser Fluence is discussed.