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INNOVATION
A high-performance platform of libraries and interoperable quantum Monte Carlo and deterministic codes.
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Market Maturity: Exploring
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Market Creation Potential
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Women-led innovation
A woman had a leadership role in developing this innovation in at least one of the Key Innovator organisations listed below.
Go to Market needs
Needs that, if addressed, can increase the chances this innovation gets to (or closer to) the market incude:
  • Scale-up market opportunities
Location of Key Innovators developing this innovation
Key Innovators
UN Sustainable Development Goals(SDG)
This innovation contributes to the following SDG(s)
SUSTAINABLE DEVELOPMENT GOAL 9
Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation

The UN explains: "Investments in infrastructure – transport, irrigation, energy and information and communication technology – are crucial to achieving sustainable development and empowering communities in many countries. It has long been recognized that growth in productivity and incomes, and improvements in health and education outcomes require investment in infrastructure."

The EU-funded Research Project
This innovation was developed under the Horizon 2020 project TREX with an end date of 31/03/2024
  • Read more about this project on CORDIS
Description of Project TREX
TREX is a highly integrated initiative that gathers most European leading scientists in quantum mechanical simulations of extreme accuracy in the framework of stochastic quantum Monte Carlo methods. This methodology represents one of the highest steps in precision in the ladder of electronic structure approaches and is uniquely positioned to fully exploit the massive parallelism of the upcoming exascale architectures. The marriage of this sophisticated approaches with exascale computing is bound to enable molecular simulations of unprecedented accuracy for complex scientific and industrial applications, meeting the growing demands for robust and predictive calculations in materials design. Thanks to co-design activities with leading high-performance computing (HPC) stakeholders, TREX will deliver a sophisticated product consisting of a user-friendly, high-performance software platform in the domain of stochastic quantum chemical simulations, which will enable the convergence of HPC and high throughput computing (HTC), and which will be made fully available to the computational community in academia and industry. Finally, TREX will work on show-cases to leverage quantum Monte Carlo methods for commercial applications as well as develop and implement software components and services that make it easier for commercial operators and user communities to use HPC resources for these applications.

Innnovation Radar's analysis of this innovation is based on data collected on 06/06/2024.
The unique id of this innovation in the European Commission's IT systems is: 107602