The TREX Center of Excellence (CoE) in high-performance computing (HPC) for quantum chemistry brings together European researchers, HPC stakeholders, and small and medium-sized enterprises (SMEs) to develop and apply high-performance software solutions for quantum mechanical simulations at the exascale. The final goal of the project is to develop a set of flagship quantum Monte Carlo codes that will be able to take full advantage of the capabilities of the recent exascale computers.
To achieve this goal, TREX’s main focus is on the development of a user-friendly and open-source software suite in the domain of stochastic quantum chemistry simulations, which integrates TREX community codes within an interoperable, high-performance platform. This will make it possible to greatly enhance the tools available to the research community for the design of new materials and the understanding of the fundamental properties of matter. In parallel, TREX will work on show-cases to leverage this methodology for commercial applications, as well as developing and implementing software components and services that make it easier for commercial operators and research communities to use HPC resources for these applications.
For questions about PDC's activities within TREX, please contact: