Brief description

TREX (Targeting Real Chemical accuracy at the EXascale) is a highly integrated initiative that gathers a set of excellent European leading scientists working on quantum mechanical simulations of extreme accuracy in the framework of stochastic quantum Monte Carlo methods. It aims at developing, promoting and maintaining open-source high-performance software solutions in the field of quantum chemistry, which will readily adopt upcoming exascale architectures.

The project, where Trust-IT is one of the leading organisations, involves 12 leading European organisations and is coordinated by the University of Twente. The consortium brings together major scientists, research institutions and HPC stakeholders across Europe to develop and apply quantum mechanical simulations in the framework of quantum Monte Carlo.

Goals

Duration:
Oct 2020 to Sep 2023
Type:
High-Performance Computing
portfolio trex

Our role

Trust-IT leads the activities related to communication, dissemination, stakeholder engagement and outreach activities of TREX, bringing our complementary experience to the scientists and HPC experts

TRUST-IT will deliver the Communication and Marketing activities in tight collaboration with all the partners involved but will focus on the end-user impact of TREX, with a central point on interviews with those using TREX services. We will be responsible for the design, deployment and delivery of the web platform and its content and features. The TREX website will be designed as the Single Entry Point for public access to all of TREX assets and services. Trust-IT will implement the software platform of interoperable flagship codes and libraries. The platform will deliver easy to read guidelines for the use of all software components and will be also responsible for building the documentation of performance indicators of all flagship components on different architectures, to help the users find the best hardware and software strategy for their needs while highlighting relevant insights on how to interface an external code to our software ecosystem and finally curate the Test Suites.


Acknowledgements

TREX Centre of Excellence - Trex-coe.eu project has received funding from the European Union’s Horizon 2020 - H2020-INFRAEDI-2018-2020 European Data Infrastructure - under grant agreement no. 952165