If you are a chip manufacturer dealing with the need for new heat-resistant materials — this project developed lighthouse applications that simulate quantum materials at an exascale level. This allows you to predict material performance before physical prototyping, reducing R&D waste.
Exascale Computing for Faster and More Accurate Material Discovery and Design
Imagine trying to predict how a new metal or chemical will behave by running a trillion tiny experiments at once in a virtual lab. This project builds the super-fast software needed to make those virtual experiments happen on the world's most powerful computers. It's like upgrading from a handheld calculator to a supercomputer to design the next generation of batteries or chips.
What needed solving
Designing new materials currently takes too long and costs too much because simulations cannot handle the complexity of quantum materials at a massive scale. This creates a bottleneck in developing sustainable energy and high-tech hardware.
What was built
A suite of lighthouse applications and exascale-oriented workflows. These tools allow complex material simulations to run across thousands of accelerated computing nodes.
Who needs this
Who can put this to work
If you are a battery technology developer dealing with slow discovery cycles for new electrolytes — this project developed exascale-oriented workflows. These tools automate the simulation of complex material properties to accelerate the discovery of high-efficiency energy materials.
If you are an advanced alloy producer dealing with the extreme cost of testing materials for jet engines — this project developed software that runs on thousands of accelerated nodes. This provides high-fidelity predictions of material resilience and fault tolerance.
Quick answers
What is the cost or pricing for using these tools?
Based on available project data, the software is disseminated under an open-source model, meaning the codes and workflows are shared with the community.
Can this be scaled to industrial-level production?
Yes, the project specifically targets exascale platforms, turning flagship codes into applications capable of running on thousands of accelerated nodes.
What are the IP and licensing terms?
The project follows an extensive open-source model for its codes, workflows, and data to ensure wide dissemination.
How does this integrate with existing hardware?
The project uses a co-design cycle to ensure software is optimized for heterogeneous architectures at the chip, node, and system levels.
What is the timeline for these results?
The project period runs from 2023-01-01 to 2026-12-31.
Who built it
The consortium is heavily weighted toward research and academia, with 8 research organizations and 4 universities. However, there is a significant industrial presence with 4 companies (including 2 SMEs), representing a 25% industry ratio, which ensures that the exascale software development is aligned with actual hardware capabilities and commercial needs.
Contact the Consiglio Nazionale delle Ricerche (CNR) in Italy.
Talk to the team behind this work.
Contact us to find the specific lighthouse code applicable to your material needs.