Ab initio quantum simulation of strongly correlated materials with quantum embedding
Abstract Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in the quantum simulation of simple molecules, ab initio simulation of solid-state materials o...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-05-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01045-0 |