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Conference object . 2022
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Leveraging stochastic electronic structure methods at the exascale

descriptionPublicationkeyboard_double_arrow_right Conference object 23 Sep 2022Publisher:ZenodoFunded by:EC | TREX
Authors: Borda, Edgar Landinez; Abrusci, Gianfranco; Alavi, Ali; Chilkuri, Vijay Gopal; Coppens, François; Filippi, Claudia; A. Delval; +13 Authors

doi: 10.5281/zenodo.7108145 , 10.5281/zenodo.7108146

Leveraging stochastic electronic structure methods at the exascale

Abstract

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).

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Keywords

Quantum Monte Carlo, TREXIO, TREX, QMCkl, exascale

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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