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Nanoparticles are the key in nanotechnology and nano science, and are widely implemented in various domains, including biochemistry, biophysics, and nanoscience. Laser processing is the ideal method for manufacturing colloidal alloy nanoparticles with high-purity surface in a liquid by laser pulses, which is a sustainable and convenient production process. Molecular dynamics proves to be a powerful tool to provide a numerical insight for the laser interaction with material, and helps understand the mechanisms better. This paper discusses the application of molecular dynamics simulations in the characteristics and behaviors of laser processing metal nanoparticles. The cluster-based two-temperature model molecular dynamics emerges as an efficacious method for scrutinizing the microscopic dynamics of gold nanoparticles. The two-temperature model integrated with molecular dynamics model effectively emulates energy transfer and relaxation processes that underpin the ultimate nanoparticle size and morphology. Additionally, this paper delves into the interaction of laser with nanoparticles suspended in liquid and the influence of metal film thickness on nanoparticle size and distribution. Furthermore, the paper explains the impact of the liquid medium and laser energy on nanoparticle morphology, size, and properties. In summary, this review offers a comprehensive synopsis of recent advancements in molecular dynamics simulations of laser-processed metal nanoparticles. • The development of MD study in preparing nanoparticles by LAL, LFL and LML methods is reviewed. • The development of the two-temperature method combined with the MD method. • Discussed the performance comparison of LAL, LFL, and LML. • The future direction of nanoparticles development is predicted. [ABSTRACT FROM AUTHOR]