Journal article
Exploiting subspace constraints and ab initio variational methods for quantum chemistry
- Abstract:
- Variational methods offer a highly promising route to exploiting quantum computers for chemistry tasks. Here we employ methods described in a sister paper to the present report, entitled exploring ab initio machine synthesis of quantum circuits, in order to solve problems using adaptively evolving quantum circuits. Consistent with prior authors we find that this approach can outperform human-designed circuits such as the coupled-cluster or hardware-efficient ansätze, and we make comparisons for larger instances up to 14 qubits Moreover we introduce a novel approach to constraining the circuit evolution in the physically relevant subspace, finding that this greatly improves performance and compactness of the circuits. We consider both static and dynamics properties of molecular systems. The emulation environment used is QuESTlink all resources are open source and linked from this paper.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Preview, Version of record, pdf, 1.9MB, Terms of use)
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- Publisher copy:
- 10.1088/1367-2630/ace182
Authors
- Publisher:
- IOP Publishing
- Journal:
- New Journal of Physics More from this journal
- Volume:
- 25
- Issue:
- 7
- Article number:
- 73019
- Publication date:
- 2023-07-31
- Acceptance date:
- 2023-06-21
- DOI:
- EISSN:
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1367-2630
- Language:
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English
- Keywords:
- Pubs id:
-
1511236
- Local pid:
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pubs:1511236
- Deposit date:
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2023-09-21
- ARK identifier:
Terms of use
- Copyright holder:
- Gustiani et al
- Copyright date:
- 2023
- Rights statement:
- © 2023 The Author(s). Published by IOP Publishing Ltd on behalf of the Institute of Physics and Deutsche Physikalische Gesellschaft. Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
- Licence:
- CC Attribution (CC BY)
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