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North-Holland
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Computer Physics Communications
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2026
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2024
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L. Martin-Samos
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QE-CONVERSE: An open-source package for the quantum ESPRESSO distribution to compute non-perturbatively orbital magnetization from first principles, including NMR chemical shifts and EPR parameters
NARA Subscribed
Computer Physics Communications
· 2026 · Vol. 318 · North-Holland
S. Fioccola
;
L. Giacomazzi
;
D. Ceresoli
;
N. Richard
;
A. Hemeryck
;
L. Martin-Samos
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pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm
NARA Subscribed
Computer Physics Communications
· 2024 · Vol. 295 · North-Holland
M. Poberznik
;
M. Gunde
;
N. Salles
;
A. Jay
;
A. Hemeryck
;
N. Richard
;
N. Mousseau
;
L. Martin-Samos
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