Nanoscale Simulators in Ireland is a network of scholars and researchers involved in the theory and computation of molecules and materials at the atomic-scale.

This field encompasses much of computational chemistry and physics, but is also relevant to the biosciences, materials science and electronic engineering. A common theme is the investigation of how nanoscale structures, such as electrons, atoms and molecules, lead to observed properties and useful technologies. The simulation methods used are generally based on classical or quantum mechanics (especially, electronic structure theory). In addition, the network is aimed at meso-scale simulation, linking atomistic and continuum length scales.

Ireland's activity in nanoscale simulation, in both research and education, continues to expand. This network facilitates collaboration between all those involved in the field on the island of Ireland and beyond. There are strong links with related international organisations such as CECAM and Psi-k.

The premier annual event of the network is the Irish Nanoscale Simulators Meeting.

Membership of the network is free and is open to all individuals with a primary degree or doctorate who are active in the area.