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d072291
Initiating the demo
ddhawan11 Mar 17, 2025
fe690e3
Initiating the demo
ddhawan11 Mar 17, 2025
93a6f65
add implementation sections
soranjh Mar 17, 2025
2597e1b
Added functions
ddhawan11 Mar 18, 2025
a49ac9b
Added Theory
ddhawan11 Mar 19, 2025
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Addressed comments
ddhawan11 Mar 20, 2025
9e492fe
Update demonstrations/tutorial_dmet_embedding.py
ddhawan11 Mar 25, 2025
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Update demonstrations/tutorial_dmet_embedding.py
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Update demonstrations/tutorial_dmet_embedding.py
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Update demonstrations/tutorial_dmet_embedding.py
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Addressed comments
ddhawan11 Mar 27, 2025
bc15d92
Small fix
ddhawan11 Mar 27, 2025
25aa565
update theory
soranjh Apr 29, 2025
38f4219
update implementation
soranjh Apr 30, 2025
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add metadata
soranjh May 1, 2025
908b82e
disable code
soranjh May 1, 2025
4905427
fix format
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367efd0
fix format
soranjh May 1, 2025
cf57cbb
Merge branch 'master' into dmet_demo
soranjh May 1, 2025
48c0fbb
fix format
soranjh May 1, 2025
37eb633
Merge branch 'dmet_demo' of https://github.com/PennyLaneAI/qml into d…
soranjh May 1, 2025
e6f4d1f
fix format
soranjh May 1, 2025
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fix format
soranjh May 1, 2025
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Addressed Torin's comments
ddhawan11 May 16, 2025
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Small change
ddhawan11 May 16, 2025
f2d9e0e
Update demonstrations/tutorial_dmet_embedding.py
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Update demonstrations/tutorial_dmet_embedding.py
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Update demonstrations/tutorial_dmet_embedding.py
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Update demonstrations/tutorial_dmet_embedding.py
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Addressed comments
ddhawan11 May 21, 2025
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Fixed rendering issue
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update text
soranjh May 29, 2025
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update implementation
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fix format
soranjh May 30, 2025
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soranjh May 30, 2025
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Merge branch 'master' into dmet_demo
soranjh May 30, 2025
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update intro
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Merge branch 'master' into dmet_demo
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92 changes: 92 additions & 0 deletions demonstrations/tutorial_dmet_embedding.metadata.json
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{
"title": "Density Matrix Embedding Theory",
"authors": [
{
"username": "ddhawan"
}
],
"dateOfPublication": "2025-05-21T00:00:00+00:00",
"dateOfLastModification": "2025-05-21T00:00:00+00:00",
"categories": [
"Quantum Chemistry",
"How-to"
],
"tags": [],
"previewImages": [
{
"type": "thumbnail",
"uri": "/_static/demo_thumbnails/regular_demo_thumbnails/thumbnail_how_to_build_spin_hamiltonians.png"
},
{
"type": "large_thumbnail",
"uri": "/_static/demo_thumbnails/large_demo_thumbnails/thumbnail_large_how_to_build_spin_hamiltonians.png"
}
],
"seoDescription": "Learn how to build a Density Matrix Embedding Theory (DMET) Hamiltonian.",
"doi": "",
"references": [
{
"id": "SWouters",
"type": "article",
"title": "A practical guide to density matrix embedding theory in quantum chemistry",
"authors": "Wouters, Sebastian and Jimenez-Hoyos, Carlos A and Sun, Qiming and Chan, Garnet K-L",
"journal": "",
"year": "2016",
"url": "https://arxiv.org/pdf/1603.08443"
},
{
"id": "Mineh",
"type": "article",
"title": "Solving the Hubbard model using density matrix embedding theory and the variational quantum eigensolver",
"authors": "Mineh, Lana and Montanaro, Ashley",
"journal": "",
"year": "2021",
"url": "https://arxiv.org/abs/2108.08611"
},
{
"id": "pyscf",
"type": "article",
"title": "Recent developments in the PySCF program package",
"authors": "Sun, Qiming and Zhang, Xing and Banerjee, Samragni and Bao, Peng and Barbry, and others",
"journal": "",
"year": "2020",
"url": "https://arxiv.org/pdf/2002.12531"
},
{
"id": "libdmet",
"type": "article",
"title": "Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory",
"authors": "Cui, Zhi-Hao and Zhu, Tianyu and Chan, Garnet Kin-Lic",
"journal": "",
"year": "2020",
"url": "https://arxiv.org/pdf/1909.08596"
},
{
"id": "libdmet2",
"type": "article",
"title": "Efficient formulation of ab initio quantum embedding in periodic systems: Dynamical mean-field theory",
"authors": "Zhu, Tianyu and Cui, Zhi-Hao and Chan, Garnet Kin-Lic",
"journal": "",
"year": "2019",
"url": "https://arxiv.org/pdf/1909.08592"
},
{
"id": "DMETQC",
"type": "article",
"title": "Ab initio simulation of complex solids on a quantum computer with orbital-based multifragment density matrix embedding",
"authors": "Cao, Changsu and Sun, Jinzhao and Yuan, Xiao and Hu, Han-Shi and Pham, Hung Q and Lv, Dingshun",
"journal": "",
"year": "2023",
"url": "https://arxiv.org/pdf/2209.03202"
}
],
"basedOnPapers": [],
"referencedByPapers": [],
"relatedContent": [
{
"type": "demonstration",
"id": "tutorial_quantum_chemistry",
"weight": 1.0
}
]
}
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