Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
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Autores:
Francisco A. Delesma; Moritz Leucke; Dorothea Golze; Patrick Rinke
Publicado en:
The Journal of Chemical Physics, 2024
Editor:
CORNELL UNIVERSITY
DOI:
10.48550/ARXIV.2310.11058
Physical Review Letters
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Autores:
Wolfgang S. M. Werner, Florian Simperl, Felix Blödorn, Julian Brunner, Johannes Kero, Alessandra Bellissimo, Olga Ridzel
Publicado en:
Physical Review Letters, Edición 132, 2025, ISSN 0031-9007
Editor:
American Physical Society
DOI:
10.1103/PHYSREVLETT.132.186203
Electron beams near surfaces: the concept of partial intensities for surface analysis and perspective on the low energy regime
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Autores:
Wolfgang S. M. Werner
Publicado en:
Frontiers in Materials, 2023
Editor:
FRONTIERS
DOI:
10.3389/FMATS.2023.1202456
Universal machine learning interatomic potentials are ready for phonons
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Autores:
Antoine Loew; Dewen Sun; Hai-Chen Wang; Silvana Botti; Miguel A. L. Marques
Publicado en:
npj Computational Materials, 2025
Editor:
CORNELL UNIVERSITY
DOI:
10.48550/ARXIV.2412.16551
Training machine learning interatomic potentials for accurate phonon properties
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Autores:
Antoine Loew; Hai-Chen Wang; Tiago F T Cerqueira; Miguel A L Marques
Publicado en:
Machine Learning: Science and Technology, 2024
Editor:
IOP SCIENCE
DOI:
10.1088/2632-2153/AD86A1
Transfer learning on large datasets for the accurate prediction of material properties
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Autores:
Noah Hoffmann; Jonathan Schmidt; Silvana Botti; Miguel A. L. Marques
Publicado en:
Digital Discovery, 2023
Editor:
RSC PUBLISHING
DOI:
10.5281/ZENODO.8143754