Variational benchmarks for quantum many-body problems
The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the V-score, obtained from the variational energy and its variance. We provide an extensive curated dataset of variational calculations of many-body quantum systems, identifying cases where state-of-the-art numerical approaches show limited accuracy and future algorithms or computational platforms, such as quantum computing, could provide improved accuracy. The V-score can be used as a metric to assess the progress of quantum variational methods toward a quantum advantage for ground-state problems, especially in regimes where classical verifiability is impossible.
Cite this item
Wu, D., Rossi, R., Vicentini, F., Astrakhantsev, N., Becca, F., Cao, X., Carrasquilla, J., Ferrari, F., Georges, A., Hibat-Allah, M., Imada, M., Läuchli, A. M., Mazzola, G., Mezzacapo, A., Millis, A., Moreno, J. R., Neupert, T., Nomura, Y., Nys, J., et al. (2024). Variational benchmarks for quantum many-body problems. Science, 386(6719), 296–301. https://doi.org/10.1126/science.adg9774
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2-s2.0-85206872570
39418373
École Polytechnique Fédérale de Lausanne
École Polytechnique Fédérale de Lausanne
École Polytechnique Fédérale de Lausanne
Universität Zürich
Università degli Studi di Trieste
Simons Foundation
Vector Institute
Goethe-Universität Frankfurt am Main
Centre de Physique Theorique de l' Ecole Polytechnique
Vector Institute
2024-10-18
386
6719
296
301
REVIEWED
EPFL
| Funder | Funding(s) | Grant Number | Grant URL |
Department of Innovation, Science and Economic Development | |||
Swiss National Science Foundation | NCCR MARVEL: Materials’ Revolution: Computational Design and Discovery of Novel Materials (phase III) | 205602 | |
Ministry of Colleges and Universities | |||
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