The DOI matches its Crossref record; 56 of the 56 references it cites were found in a registry or an index.
Q uantum ESPRESSO toward the exascale
Open accessAbstract
Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, from laptops to massively parallel computers, as well as for the breadth of its applications. In this paper, we present a motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing.
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Cites
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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Self-citationUnified Approach for Molecular Dynamics and Density-Functional Theory
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Self-citationPhonons and related crystal properties from density-functional perturbation theory
Baroni, S., de Gironcoli, S., Dal Corso, A., & Giannozzi, P. (2001) · Reviews of Modern Physics · doi:10.1103/revmodphys.73.515 · Cited by 10,043
Self-citationAdvanced capabilities for materials modelling with Q uantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa8f79 · Cited by 8,361
Self-citationPython Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
van Setten, M. J., Giantomassi, M., Bousquet, E., Verstraete, M. J., Hamann, D. R., Gonze, X., & Rignanese, G.-M. (2018) · Computer Physics Communications · doi:10.1016/j.cpc.2018.01.012 · Cited by 2,169
Green’s-function approach to linear response in solids
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Self-citationPseudopotentials periodic table: From H to Pu
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A foundation model for atomistic materials chemistry
Batatia, I., Benner, P., Chiang, Y., Elena, A. M., Kovács, D. P., Riebesell, J., Advincula, X. R., Asta, M., Avaylon, M., Baldwin, W. J., et al. (2024) · arXiv · doi:10.48550/arxiv.2401.00096 · Cited by 604
A foundation model for atomistic materials chemistry
Batatia, I., Benner, P., Chiang, Y., Elena, A. M., Kovács, D. P., Riebesell, J., Advincula, X. R., Asta, M., Avaylon, M., Baldwin, W. J., et al. (2025) · The Journal of Chemical Physics · doi:10.1063/5.0297006 · Cited by 566
Observation of fractional edge excitations in nanographene spin chains
Mishra, S., Catarina, G., Wu, F., Ortiz, R., Jacob, D., Eimre, K., Ma, J., Pignedoli, C. A., Feng, X., Ruffieux, P., et al. (2021) · Nature · doi:10.1038/s41586-021-03842-3 · Cited by 284
Pela, R. R., Hsiao, C.-L., Hultman, L., Birch, J., & Gueorguiev, G. K. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp05295h · Cited by 75
Magnetic Control of Soft Chiral Phonons in PbTe
Baydin, A., Hernandez, F. G. G., Rodriguez-Vega, M., Okazaki, A. K., Tay, F., Noe, G. T., Katayama, I., Takeda, J., Nojiri, H., Rappl, P. H. O., et al. (2022) · Physical Review Letters · doi:10.1103/physrevlett.128.075901 · Cited by 68
Metadata
- Authors
- Giannozzi, P., Baseggio, O., Bonfà, P., Brunato, D., Car, R., Carnimeo, I., Cavazzoni, C., de Gironcoli, S., Delugas, P., Ferrari Ruffino, F., Ferretti, A., Marzari, N., Timrov, I., Urru, A., & Baroni, S.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2020-04-17
- Volume
- 152
- Issue
- 15
- Pages
- 154105-154105
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W3016932526
- Cited by
- 2,032
- References
- 56
- FWCI
- 159.39
- Type
- journal article
- Language
- en
- Open access
- green
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