| Title: |
TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale |
| Authors: |
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 |
| Publisher Information: |
Zenodo |
| Publication Year: |
2023 |
| Collection: |
Zenodo |
| Subject Terms: |
Quantum Monte Carlo; Software; Quantum Mechanical Simulations; exascale; High Performance Computing; NECI; TurboRVB; Quantum Package; QMC=CHEM; CHAMP; GAMMCOR; TREX I/O; QMCkl library |
| Description: |
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. You can find the recording on the event page: https://trex-coe.eu/events/trex-high-performance-software-solutions-quantum-mechanical-simulations-exascale |
| Document Type: |
text |
| Language: |
English |
| Relation: |
https://zenodo.org/communities/eu/; https://zenodo.org/communities/trex/; https://zenodo.org/records/7624691; oai:zenodo.org:7624691; https://doi.org/10.5281/zenodo.7624691 |
| DOI: |
10.5281/zenodo.7624691 |
| Availability: |
https://doi.org/10.5281/zenodo.7624691; https://zenodo.org/records/7624691 |
| Rights: |
Creative Commons Attribution 4.0 International ; cc-by-4.0 ; https://creativecommons.org/licenses/by/4.0/legalcode |
| Accession Number: |
edsbas.34A0EEDC |
| Database: |
BASE |