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Initial state preparation demo #950

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Oct 20, 2023
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ae28709
first draft of initial state demo
Chiffafox Oct 5, 2023
0224d75
very rough draft of the initial state demo
Chiffafox Oct 5, 2023
c6adb66
wip on the VQE part of demo
Chiffafox Oct 13, 2023
ab25ec1
new draft of initial state demo
Chiffafox Oct 13, 2023
4bd11b6
add header for vqe section
Chiffafox Oct 13, 2023
d37e40d
Merge branch 'dev' into qml_isp_demo
Chiffafox Oct 13, 2023
a04ff4b
[skip ci] text edits
Chiffafox Oct 13, 2023
eb8ccb0
Merge branch 'qml_isp_demo' of github.com:PennyLaneAI/qml into qml_is…
Chiffafox Oct 13, 2023
b24b4e7
trigger build
Chiffafox Oct 13, 2023
f532439
fixes to metadata
Chiffafox Oct 13, 2023
f817918
fixes to metadata
Chiffafox Oct 13, 2023
6345c47
fix metadata and add author data
Chiffafox Oct 13, 2023
7795c36
turn dmrg part into a note to avoid dependency
Chiffafox Oct 13, 2023
2a2c17c
final dmrg reference removed
Chiffafox Oct 13, 2023
cb01d13
fix previewimage metadata
Chiffafox Oct 13, 2023
9fc415d
remove printing from vqe execution and fix images not showing up
Chiffafox Oct 13, 2023
eacbc99
update demos qchem rst file
Chiffafox Oct 13, 2023
df9dcb2
update demos qchem rst file
Chiffafox Oct 13, 2023
b93c675
rearrange text and code
soranjh Oct 13, 2023
cbe6db2
Merge branch 'qml_isp_demo' of https://github.com/PennyLaneAI/qml int…
soranjh Oct 13, 2023
19b7b7e
Update _static/authors/stepan_fomichev.txt
Chiffafox Oct 16, 2023
270d876
typos
Chiffafox Oct 16, 2023
e5dafb2
Merge branch 'qml_isp_demo' of github.com:PennyLaneAI/qml into qml_is…
Chiffafox Oct 16, 2023
13d4faa
typos and use StatePrep
Chiffafox Oct 16, 2023
7582f2d
fix italicize
Chiffafox Oct 16, 2023
220891d
update block2 install, new release has all funcs we need
Chiffafox Oct 16, 2023
fa4a97b
visual edits
Chiffafox Oct 16, 2023
25c4657
links for all external packages
Chiffafox Oct 16, 2023
88dbacf
improve the overlap section
Chiffafox Oct 16, 2023
cb3576e
light style edits and changed to h3+ example with printing
Chiffafox Oct 17, 2023
8da4859
style edits
Chiffafox Oct 17, 2023
4c3ab86
move tol description higher
Chiffafox Oct 17, 2023
0c231de
style edits
Chiffafox Oct 17, 2023
696808a
style edits from code review
Chiffafox Oct 17, 2023
4d711a4
clarify dmrg code block
Chiffafox Oct 17, 2023
7204149
add dmrg and shci output as text
Chiffafox Oct 17, 2023
561824c
added text output for shci and dmrg
Chiffafox Oct 17, 2023
f458913
final stylistic edits and finish h3+
Chiffafox Oct 17, 2023
f2be96f
print tot iterations and generate figure
Chiffafox Oct 17, 2023
7250f50
modify overlap section to reflect new example
Chiffafox Oct 17, 2023
3aa940c
remove pre-computed figures
Chiffafox Oct 17, 2023
4c0debd
replace header image
Chiffafox Oct 17, 2023
4bb2738
point to new image
Chiffafox Oct 17, 2023
f8f5e18
stylistic edits
Chiffafox Oct 17, 2023
addba50
style edits
Chiffafox Oct 17, 2023
c2408fa
style edits
Chiffafox Oct 17, 2023
55a63a6
style edits to overlap output
Chiffafox Oct 17, 2023
acb039f
style edits
Chiffafox Oct 17, 2023
905eeee
final stylistic changes
Chiffafox Oct 17, 2023
b583155
Apply suggestions from code review
Chiffafox Oct 17, 2023
f50d1db
Update demonstrations/tutorial_initial_state_preparation.py
KetpuntoG Oct 18, 2023
f8c5e20
thumbnails + black
KetpuntoG Oct 18, 2023
b58d9bc
Merge branch 'qml_isp_demo' of https://github.com/PennyLaneAI/qml int…
KetpuntoG Oct 18, 2023
fb01731
random space in the name
KetpuntoG Oct 18, 2023
afcd9b5
fixing uri
KetpuntoG Oct 18, 2023
75e909d
stylistic edits
Chiffafox Oct 18, 2023
823c3b9
style edits
Chiffafox Oct 18, 2023
fa4f1b9
comments on best initial state options
Chiffafox Oct 18, 2023
23d5f67
Merge branch 'dev' into qml_isp_demo
Chiffafox Oct 18, 2023
cd9c239
shci and application:vqe headers style edit
Chiffafox Oct 18, 2023
5bae116
bold text edit
Chiffafox Oct 18, 2023
1d1e118
final style edits
Chiffafox Oct 18, 2023
6cf7cc4
Apply suggestions from code review
Chiffafox Oct 18, 2023
c360578
Merge branch 'qml_isp_demo' of github.com:PennyLaneAI/qml into qml_is…
Chiffafox Oct 18, 2023
04fa37d
Apply suggestions from code review
Chiffafox Oct 18, 2023
6583bac
final visual edits
Chiffafox Oct 18, 2023
7dd1aa7
combine with github edits
Chiffafox Oct 18, 2023
4bb9e26
remove blank lines
soranjh Oct 19, 2023
b0793f1
style edits
Chiffafox Oct 19, 2023
57e0732
Merge branch 'qml_isp_demo' of github.com:PennyLaneAI/qml into qml_is…
Chiffafox Oct 19, 2023
3fb43db
remove bold font
Chiffafox Oct 19, 2023
d91252a
Merge branch 'dev' into qml_isp_demo
Chiffafox Oct 19, 2023
bb2679a
CCSD header fix
Chiffafox Oct 19, 2023
a884e30
cisd paragraph render error
Chiffafox Oct 19, 2023
145c7b3
split big VQE codeblock
Chiffafox Oct 20, 2023
0620b90
final text edits and typo fixes
Chiffafox Oct 20, 2023
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5 changes: 5 additions & 0 deletions _static/authors/stepan_fomichev.txt
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@@ -0,0 +1,5 @@
.. bio:: Stepan Fomichev
:photo: ../_static/authors/stepan_fomichev.jpg


Stepan Fomichev is a quantum scientist working at Xanadu. His background is in condensed matter physics, with a focus on lattice vibrations and electron-phonon coupling. As part of the Algorithms team, he focuses on researching and developing prospective applications for quantum algorithms.
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43 changes: 43 additions & 0 deletions demonstrations/tutorial_initial_state_preparation.metadata.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,43 @@
{
"title": "Initial State Preparation for Quantum Chemistry",
"authors": [
{
"id": "stepan_fomichev"
}
],
"dateOfPublication": "2023-10-20T00:00:00+00:00",
"dateOfLastModification": "2023-10-20T00:00:00+00:00",
"categories": [
"Quantum Chemistry"
],
"tags": [],
"previewImages": [
{
"type": "thumbnail",
"uri": "/_images/thumbnail_initial_state_preparation.png"
},
{
"type": "large_thumbnail",
"uri": "/_static/large_demo_thumbnails/thumbnail_large_initial_state_preparation.png"
}
],
"seoDescription": "Prepare initial states for quantum algorithms from output of traditional quantum chemistry methods.",
"doi": "",
"canonicalURL": "/qml/demos/tutorial_initial_state_preparation",
"references": [
],
"basedOnPapers": [],
"referencedByPapers": [],
"relatedContent": [
{
"type": "demonstration",
"id": "tutorial_quantum_chemistry",
"weight": 1.0
},
{
"type": "demonstration",
"id": "tutorial_vqe",
"weight": 1.0
}
]
}
341 changes: 341 additions & 0 deletions demonstrations/tutorial_initial_state_preparation.py

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7 changes: 7 additions & 0 deletions demos_quantum-chemistry.rst
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Expand Up @@ -105,6 +105,12 @@ Quantum chemistry is one of the leading application areas of quantum computers.
:description: :doc:`demos/tutorial_fermionic_operators`
:tags: chemistry

.. gallery-item::
:tooltip: Initial State Preparation for Quantum Chemistry
:figure: demonstrations/initial_state_preparation/thumbnail_initial_state_preparation.png
:description: :doc:`demos/tutorial_initial_state_preparation`
:tags: chemistry

:html:`</div></div><div style='clear:both'>`


Expand All @@ -127,4 +133,5 @@ Quantum chemistry is one of the leading application areas of quantum computers.
demos/tutorial_classically_boosted_vqe
demos/tutorial_qchem_external
demos/tutorial_resource_estimation
demos/tutorial_initial_state_preparation