Published September 23, 2022
| Version v1
Poster
Open
Leveraging stochastic electronic structure methods at the exascale
Creators
- Edgar Landinez Borda1
- Gianfranco Abrusci2
- Ali Alavi3
- Vijay Gopal Chilkuri4
- François Coppens5
- Claudia Filippi1
- A. Delval
- Michal Hapka6
- M. Hoffer
- William Jalby5
- Pablo Lopez Rios3
- Kosuke Nakano7
- Pablo de Oliveira Castro5
- R. Panades
- Kasia Pernal6
- Evgeny Posenitskiy4
- Ravindra Shinde1
- Adam Sokół6
- Sandro Sorella8
- Anthony Scemama4
- 1. University of Twente
- 2. CINECA
- 3. Max Planck Gesellschaft
- 4. CNRS
- 5. Université de Versailles-Saint-Quentin-en-Yvelines
- 6. Politechnika Łódzka
- 7. SISSA, JAIST
- 8. SISSA
Description
The poster was presented at the Psi-k 2022 conference, August 22-25.
The poster presetns the software development strategy and the current achievements of the European Centre of Excellence “Targeting Real chemical accuracy at the EXascale” (TREX). The main objective of TREX is the development of a user-friendly and open-source software suite in the domain of stochastic electronic structure simulations, which integrates a set of flagship quantum Monte Carlo codes within an interoperable, high-performance platform. Core of our software efforts is the creation of two libraries, the TREXIO and the quantum Monte Carlo kernel library (QMCkl).
Files
Leveraging stochastic electronic structure methods at the exascale_TREX.Landinez.pdf
Files
(900.4 kB)
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