For about 50 years there has been a growing interest in the study of matter on the nanometric scale. This is due to the existence of novel properties and phenomena with respect to those found in the macroscopic scale, which depend on size (number of atoms), morphology and chemical composition of these nanomaterials. Such studies are of enormous interest to physics, chemistry, materials science, biology, medicine, and various areas of engineering and technology. In this way, the study of matter at the nanoscale is currently referred to as nanoscience. In particular, computational nanoscience aims to discover, understand and predict new structures, properties and phenomena that appear in matter at the nanometric scale, using theoretical-computational methodologies, based on the fundamental laws of physics.
Computational nanoscience, hand in hand with experimental nanoscience, has managed to find and design nanomaterials that display novel phenomena and physicochemical properties that are the basis for the design and manufacture of nanodevices of diverse utility, giving place to nanotechnology.
