TREX (Targeting Real Chemical Accuracy At The Exascale) - Centre of Excellence for Quantum Chemistry
TREX federates European scientists, HPC stakeholders, and SMEs to develop and apply high-performance software solutions for quantum mechanical simulations at the exascale. The final goal is to develop a set of flagship Quantum Monte Carlo codes, able to exploit the capabilities of the recent exascale computers at their highest. TREX’s main focus will be 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 development will contribute to the exploitation of exascale machines.