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Other literature type . 2021
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Project deliverable . 2021
License: CC BY
Data sources: Datacite
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Project deliverable . 2021
License: CC BY
Data sources: Datacite
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D1.2 - Report on pre-release of open-source human-readable implementation of QMCkl

Authors: Scemama, Anthony;

D1.2 - Report on pre-release of open-source human-readable implementation of QMCkl

Abstract

There are three different Quantum Monte Carlo (QMC) codes in the Targeting REal chemical accuracy at the eXascale (TREX) Center of Excellence (CoE), TurboRVB, Champ, and QMC=Chem, each with its own strengths and weaknesses. Instead of optimizing the three codes independently for exascale architectures, or re-writing a new monolithic code, our strategy is instead to design a new library, Quantum Monte Carlo kernel library (QMCkl), containing the state-of-the-art expertise in the implementation of specific kernels present in each of the three codes. The functions available in this library will allow all the codes to benefit from the optimal implementation of the major kernels of QMC. The three main objectives driving the development of QMCkl are performance, productivity and portability.

Keywords

open source, Quantum Monte Carlo (QMC), Quantum Monte Carlo kernel library (QMCkI), High Perfomance Computing (HPC), Targeting REal chemical accuracy at the eXascale (TREX)

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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).
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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.
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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.
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