Publications

Want to learn more about TREX? On this page, you can find our archive of informative publication materials: reports, deliverables, presentations and articles from experts within the TREX community speaking about various TREX related topics. All the public materials published by TREX partners are available on the TREX Zenodo Community.

Presentation

Library development within TREX

Anthony Scemama

Presentation of: - TREX - QMCkl - TREXIO ...Read more
122 Views111 Downloads
Presentation

Guidelines for improving the performance of computer programs

Anthony Scemama

Webinar organized by Institut Chimie Radicalaire & Centre de Calcul Intensif Aix-Marseille. The technological evolution of computer hardware is such that gaining performance in computer codes has become increasingly difficult over the last 20 years. I will show where are the bottlenecks, and then I will present simple strategies to adapt the codes to take advantage of the hardware ...Read more
182 Views158 Downloads
Presentation

Software development strategy in the TREX Center of Excellence

Scemama, Anthony; Filippi, Claudia

Video available here:  https://youtu.be/-scLUoHmFo4?t=3420 Targeting Real chemical accuracy at the EXascale ...Read more
124 Views101 Downloads
Presentation

TREX Workshop: Code Tuning for the Exascale

Jalby, William; Valensi, Cédric; Blaas-Schenner, Claudia; Vialov, Ivan; Vysocký, Ondřej; Tomáš PANOC; Vavrik, Radim

The TREX project, in collaboration with the Austrian, Czech, and Slovak National Competence Centres for HPC, is hosting the "Code Tuning for the Exascale" workshop in Bratislava, Slovakia, from June 5th to 7th. ...Read more
232 Views185 Downloads
Presentation

TREX Hackathon III at CINECA

Bettencourt, Matt; Rossi, Giacomo; Molinari, Diego; Ippolito, Mariella

The TREX Centre of Excellence, together with CINECA, has organised the TREX Hackathon III in Bologna, Italy. The Hackathon was held in CINECA's Dipartimento HPC Rita Levi Montalcini Room, CINECA's main building, Via Magnanelli 6, 40033 CASALECCHIO DI RENO (BO). ...Read more
138 Views64 Downloads
Presentation

TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale

Filippi, Claudia; Alavi, Ali; Pernal, Kasia; Nakano, Kosuke; Posenitskiy, Evgeny; Scemama, Anthony; Pittonet, Sara; Shinde, Ravindra; López Ríos, Pablo; Tenti, Giacomo; Zen, Andrea; Shepard, Stuart

Here is the presentation from the TREX Webinar on "High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale” that took place on 8 February 2023. This webinar walked participants through TREX's six different quantum chemistry codes and the open-source libraries optimized for upcoming Exascale systems, which are ready to be integrated into quantum chemical codes that will benefit from the Exascale transition. ...Read more
110 Views46 Downloads