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Considering the time, expense and uncertainty of testing physical materials, digital simulation is said to be an attractive approach before going into R&D experimental and prototype runs to validate the predicted performance.

 (Montréal, Quebec, Canada) presents its advanced atomistic simulation tools, RESCU (Real space Electronic Structure CalcUlator) and RESCU+ software solutions, that are used to study and predict material properties, such as how a 2D material will behave in a given application. 

These tools have been extensively used by the materials science community to determine the electronic and physical properties of nanomaterials, the company says, enabling a better understanding of classic and quantum effects thanks to advanced modeling algorithms.

RESCU has been used to evaluate 2D nanomaterials such as graphene and MXenes — a class of 2D inorganic compounds — to study and simulate their novel properties via advanced numerical mathematics, parallelization and implementation. In a presentation by Nanoacademic Technologies Inc. co-founder and professor of physics at McGill University, Prof. Hong Guo (presented by  (New Bern, N.C., U.S.)) he notes that the software is able to solve large systems (20k atoms or more) on modest computers.