Date: May 21, 2019

ATOMSIM, Atomistic simulations for materials design

Meet ATOMSIM, a project that got funding from the Eurolab4HPC Business Prototyping Project call in 2018. This BPP call focused on the evaluation and generation of sustainable business opportunities for new, possibly disruptive, actors in Europe’s HPC markets.

“EuroLab4HPC funding has allowed us to test our hypothesis by interviewing industry representatives and business experts. It has been essential for pushing the project further. We are very grateful for the support that we received on this difficult path from science to market.”

Atomistic simulations are not easy to conduct and require a lot of background knowledge and computational power, which are often missing in the industry and therefore hinder their usage. This BPP project ATOMSIM, explores ways to overcome these barriers, developing various business hypotheses to make atomistic simulations accessible to industry. Responsive image

Our society is profoundly influenced by advanced materials and technologies. Materials have helped to raise our standard of living, but new challenges steadily emerge and novel materials are demanded, representing a key element of the commercial success of tomorrow's industrial products and competitiveness of the industry. Up to now, new materials are characterized and designed mainly using experimental techniques. However, this approach has limitations... for instance safety issues, the necessity to synthesize a material before characterizing it, and a lot of trial-and-error. Another way to design new materials is by using simulations, which allow to determine the characteristics of matter on the computer.

In particular, ATOMSIM focuses on atomistic simulations, which take into account the fundamental constituents of matter and therefore yield an outstanding precision and universal applicability.