Publications

The main goal of the TREX Centre of Excellence (CoE) is to enable the community codes for stochastic quantum chemical simulations to successfully exploit the most advanced European computing facilities, i.e., the EuroHPC pre-exascale and exascale machines, 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 recognised as key algorithmic assets. ...Read more

This Project Handbook describes how the management procedures and processes are defined and implemented within the TREX project. This includes the CoE governance structure and associated infrastructure, as well as the project operational guidelines. Management activities will be monitored within Work Package 8. Some sections are reused from the original proposal. The Handbook is a living document in that it will be updated as required throughout the project should possible improvements be identified, or an unforeseen risk occurs. ...Read more

We build a library to help inter-operability between codes in the field of quantum chemistry, primarily focused on enabling the communication of data between the flagship codes of the Targeting REal chemical accuracy at the eXascale (TREX) Center of Excellence (CoE) (NECI, GammCor, Quantum Package, QMC=Chem, CHAMP, TurboRVB, QML). We expect this library to be also adopted by the community beyond the TREX CoE. ...Read more

The current document D6.1 describes the structure and details of the training and education strategy and the plans for the events that will take place during the TREX project lifetime. The details included are the best available at the time of writing (regular updates are envisaged in due course). ...Read more

The website will also act as the main hub to connect with relevant TREX stakeholders and raise awareness around High Performance Computing (HPC), High-accuracy Quantum Chemistry and Materials Science, and Exascale Computing. This document is intended to present the TREX Web Platform (https://trex-coe.eu) and the plan for its evolution over the three years of the project. ...Read more

This document is therefore intended to report about the TREX Branding and Communication Kit, one of the first online tools developed to pursue an optimal development of the TREX brand and visual identity and to start spreading project recognition among relevant stakeholder groups while unifying the style of the communication revolving around the project. ...Read more