Targeting real chemical accuracy at the Exascale
The TREX Center of Excellence (CoE) aims at developing, promoting, and maintaining open-source high-performance software solutions in the field of quantum chemistry, which are ready to take advantage of upcoming exascale architectures. TREX’s ambition is to predict experiments in silico at the nanoscale by means of advanced and systematically improvable stochastic methods targeting the faithful simulation of a fully consistent quantum mechanical electron problem.
To this aim, TREX will exploit and foster the use of supercomputers with energy-efficient accelerators (e.g. GPU) by means of state-of-the-art quantum Monte Carlo (QMC) codes, developed in Europe and internationally recognized as key algorithmic assets.
TREX will facilitate access to the corresponding software suites with high quality documentation and user-friendliness. This will reduce the barrier between advanced numerical simulations and scientific and industrial applications, thus accelerating innovation as well as establishing European leadership in computational science.
The initiative started on 1st October 2020 and will last for 36 months, up to the end of September 2023.
Latest TREX News
Recently launched under the EU Horizon 2020 Research and Innovation Programme, the TREX is the new HPC Centre of Excellence for quantum chemistry. It tackles the great challenge of enhancing the tools available for the chemistry community to understand the fundamental properties of the matter.
TREX on Twitter
Goodmorning @QuantaMagazine ! Do you know already about the Centres of Excellence in HPC in Europe? @trex_eu is the one dedicated to #Quantum #Chemistry , and we've just started. Happy to share more w...Read More
Are you a researcher and keen to work in #Quantum Chemistry and/or Exascale Computing? The 🇸🇰 Slovak University of Technology is looking for one #postdoc to join the @trex_eu team @FutureTechEU ...Read More
The 2020 edition of the @Etp4HPC Handbook offers a comprehensive overview over the European #HPC 50 active projects and initiatives. @trex_eu is amongst the 14 Centres of Excellence there 😎! @Foc...Read More