News
08 Sep 2023
Journey to Quantum Monte Carlo methods - Insights from the TREX School on QMC with TurboRVB
The TREX School on QMC with TurboRVB took place from 3-7 July 2023 at the Scuola Internazionale Superiore di Studi Avanzati (SISSA) in Trieste, Italy. The school, organized by the TREX project, focused on ab initio quantum Monte Carlo (QMC) methods, known for their high accuracy and versatility in materials and electronic structure calculations.
24 Jul 2023
Insights and Experiences: A Recap of the TREX Workshop on Code Tuning for the Exascale
The TREX Workshop on Code Tuning for the Exascale took place from 05-07 June 2023 at the Slovak Academy of Sciences in Bratislava, Slovakia. The event was a collaboration between the TREX project and the Austrian, Czech, and Slovak National Competence Centres for HPC.
The workshop focused on providing participants with knowledge of code and platform tuning, emphasising parallel programming paradigms (MPI, OpenMP), code optimisation using the MAQAO framework, and efficient platform utilisation, including energy efficiency.
14 Jul 2023
Exploring Quantum-Chemical Methods for Strongly Correlated Systems: Insights from the TREX Workshop
The TREX Workshop on Quantum-Chemical Methods for Strongly Correlated Systems took place from 18-20 April 2023 at the Institute of Physics, Lodz University of Technology in Poland. The workshop aimed to provide participants with an in-depth exploration of the latest developments in electronic structure methods for strongly correlated systems. With a focus on theoretical and computational methods, including high-performance computing and machine learning, the event aimed to enhance participants' understanding and practical skills in this complex field.
16 Jun 2023
TREXIO: enabling collaboration and reproducibility in Quantum Chemistry research
A recent publication in the Journal of Chemical Physics, authored by a team of TREX researchers, introduces the TREXIO format and library. TREXIO overcomes challenges faced in wave function theory within quantum chemistry by providing a self-contained format that organizes and stores essential data, eliminating the reliance on external databases.
09 May 2023
From Theory to Practice: Unleashing the potential of GPUs at the TREX Hackathon III
On 06-08 March 2023, the third TREX Hackathon was held in Bologna at the premises of TREX partner CINECA. The goal of the hackathon was to get TREX code developers to port their codes to GPUs or optimize their applications already running on GPUs.
26 Apr 2023
Quantum Phase Diagram of High-Pressure Hydrogen: TREX Researchers' Groundbreaking Study Published in Nature Physics
The Nature Physics publication highlights the vital role that theoretical physics and computational methods play together in advancing scientific understanding.
17 Mar 2023
Gain Insight into Strongly Correlated Materials with Our Upcoming Scientific Workshop
TREX workshop on electronic structure methods for strong correlation: theory, computational algorithms, and codes is taking place from 18-20 April 2023 on the Lodz University of Technology campus.
01 Mar 2023
Successful Workshop on Quantum Monte Carlo with LUMI and TREX CoE: Paving the Way for Future Collaborative Efforts
The TREX Center of Excellence (CoE) and EuroCC National Competence Center Sweden (ENCCS) successfully co-organised a workshop titled "Targeting Chemical Accuracy with Quantum Monte Carlo on LUMI" from January 26-31, 2023.
23 Dec 2022
Upcoming events and learning opportunities in 2023
TREX is organising three exciting events and learning opportunities in 2023.
04 Oct 2022
“Drunk and honest”: TREX CHAMP QMC package presented by the Computational Chemical Physics (CCP) group at University of Twente
Computational Chemical Physics (CCP) group of the University of Twente presented the TREX poster “Drunk and honest: random electrons for accurate excited states and molecular dynamics” at the MESA+ Meeting, which was held at the Kinepolis cinema in Enschede.
31 Aug 2022
TurboRVB Code explained by Professor Sandro Sorella
Watch the video interview of Professor Sandro Sorella and learn more about the TurboRVB code, one of TREX’s flagship codes.
15 Jul 2022
TREX QMC Workshop Post Event Report
The QMC Hands-on Summer Workshop saw 21 Phd and Masters students from Europe and beyond get unique insight into the world of QMC and meet some of the world’s leading experts in the field.
14 Jul 2022
TREX QMC Workshop Spotlight
The QMC Hands-on Summer Workshop took place from 20-23 June 2022 in Mojmírovce, Slovakia. The workshop was co-organised by the TREX project, Slovak Academy of Sciences (SAS), Institute of Physics SAS (IPSAS), and the National Competence Centre for High Performance Computing (NCC for HPC).
22 Jun 2022
New exascale era for European supercomputing: five new hosting sites announced
Five new sites for the next generation of European supercomputers were announced, following the related selection procedure.
02 May 2022
TREX pre-exascale demonstrator applications featured in the EU HPC Centres of Excellence impact brochure
The recently established EuroHPC Joint Undertaking is a joint initiative between the EU, European...
15 Mar 2022
TREX Hackathon II with TREX event at UVSQ - Post Event Report
The Hackathon II and TREX Event at premises of Université de Versailles-Saint-Quentin-en-Yvelines ...
Save the Date: QMC Hands-on Summer Workshop
We are pleased to announce that the QMC Hands-on Summer Workshop, organised by TREX project, Slovak...
06 Sep 2021
ETP4HPC Handbook 2021 released
The 2021 edition of the ETP4HPC Handbook of HPC projects is available.
This 2021 issue is bigger...
20 Aug 2021
SAVE THE DATE – TREX Build System Hackathon
Save the date! The first TREX Hackathon will be held this autumn, from the 8th until the 12th of...
06 Aug 2021
TREX at the PRACE virtual booth at ISC2021 Digital Highlights
ISC High Performance 2021 Digital was undeniably the largest virtual community get together, with...
28 Jun 2021
Take part in the TREX e-Summer School: Call for posters
Students, HPC experts and researcher are invited to submit their poster contributions and present results and ongoing activities at the TREX e-School. Exciting prizes await the winners.
28 Jun 2021
Towards an open-source platform for high-performance QMC simulations. TREX first 8 months achievements
TREX, the European Center of Excellence in exascale computing, is focusing on the development and application of quantum mechanical simulations in the framework of quantum Monte Carlo (QMC) methods.
02 Jul 2021
TREX at the virtual PRACE booth @ISC 2021
On 2 July at 14:30 – 14:45, TREX will join the ISC 2021 in the area dedicated virtual PRACE booth at ISC2021. Visit our virtual booth and take advantage of exascale machines through the use of our HPC software.
07 Jun 2021
Join the TREX e-Summer School on Quantum Monte Carlo with TurboRVB
On 12-16 July 2021, TREX is organising a joint e-summer school in partnership with the International School for Advanced Studies (SISSA, Italy) and with the Psi-K network. It aims to develop and apply high-performance software solutions for quantum mechanical simulations at the exascale via efficient and portable QMC libraries, and to feed a stronger QMC community of users.
11 May 2021
TREX Testimonial Spotlight
Luchon Winter School of the Erasmus Mundus held a training event from 25th of January to 8th of February 2021.
The École des Sciences Avancées de Luchon aims to promote the development of advanced sciences and to enhance interdisciplinary exchange between different sciences.
13 Apr 2021
TREX: Creating engineering solutions for exascale
TREX is one of the EC-funded projects aimed to bring together computational and domain scientists, and experts from the HPC and the technology, collaborating to find good solutions which will prepare the TREX applications for the upcoming exascale systems in Europe.
Dirk Pleiter, Professor and Director of PDC at KTH Royal Institute of Technology, provides his perspective on the project and its engineering solutions for exascale.
12 Nov 2020
ETP4HPC handbook 2020 released
The 2020 edition of the ETP4HPC Handbook of HPC projects is available. It offers a comprehensive overview over the European HPC landscape that currently consists of around 50 active projects and initiatives. Amongst these is TREX, one of the 14 Centres of Excellence in HPC funded by the European Commission.
21 Oct 2020
Providing the research community with unique exascale computational power instruments to push quantum chemistry simulations a step further
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.