TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale
TREX WEBINAR
TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale
8 February 2023 | 15:00-16:30 CET
Description
The TREX Center of Excellence gathers European scientists, HPC stakeholders, and companies working on quantum chemistry and condensed matter simulations in the framework of stochastic QMC methods to develop and disseminate these unique computational tools for new materials design and the understanding of the fundamental properties of matter. The QMC family of methods is likely to play a major role in this redesign effort. Leading QMC developers must be brought together with mainstream computational scientists and high-performance computing (HPC) experts to deliver such advances to the research community.
This webinar will guide participants through the TREX six different quantum chemistry codes, and the open-source libraries optimised for upcoming Exascale systems, ready to be integrated into quantum chemical codes which thus could benefit from the Exascale transition.
Target Audience
- QMC community and current and potential users of QMC codes
Thank you to our over 50 live participants and speakers of the first TREX webinar.
The speakers' presentations are now available on Zenodo.
Watch the recording
Agenda:
| Time | Title | Speaker |
| 15:00-15:10 | TREX Quantum MonteCarlo Methods and benefits from the Exascale transition. Welcome overview (Download) | Claudia Filippi, TREX project Coordinator |
| TREX inter-operable QMC codes for exascale application | ||
| 15:10-15:15 | NECI (Download) | Ali Alavi, Director of the Max Planck Institute for Solid State Research |
| 15:15-15:20 | GAMMCOR (Download) | Kasia Pernal, Professor at the Institute of Physics at the Lodz University of Technology (TUL) and a leader of the Quantum Chemistry Group |
| 15:20-15:25 | TurboRVB (Download) | Kosuke Nakano, Research Associate, SISSA |
| 15:25-15:30 | CHAMP (Download) | Ravindra Shinde, Research Scientist, University of Twente |
| 15:30-15:35 | Quantum Package (Download) | Emmanuel Giner, CNRS, Paris |
| 15:35-15:40 | QMC=Chem (Download) | Anthony Scemama, Senior Research Engineer, CNRS |
| 15:40-15:50 | TREX I/O and QMCkl library (Download) | Evgeny Posenitskiy, a former member of TREX, Qubit Pharmaceuticals |
| 15:50-16:00 | Q&A | |
| Case of use of TREX codes | ||
| 16:00-16:25 | Experience in using TREX codes | |
| 16:25-16:30 | Wrap up and closing remarks | Sara Pittonet, TREX Communications lead, Trust-IT |
Check out our upcoming events: https://www.trex-coe.eu/events