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Resource Estimation for Spectroscopy#1665
ddhawan11 wants to merge 110 commits intomasterfrom
re_for_spectroscopy

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@ddhawan11 ddhawan11 commented Jan 20, 2026 •
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Title:
Resource Estimation for Spectroscopy

Summary:
This demo showcases the resource estimation functionality in PennyLane by exploring different
spectroscopy algorithms

Relevant references:

Possible Drawbacks:

Related GitHub Issues:

  • GOALS — Why are we working on this now?
    To promote PennyLane Estimator module

  • AUDIENCE — Who is this for?
    Chemistry Researchers

  • KEYWORDS — What words should be included in the marketing post?
    Resource Estimation, Spectroscopy, XAS, Photosensitizers

  • Which of the following types of documentation is most similar to your file?
    (more details here)

  • Tutorial
  • Demo
  • How-to

JerryChen97 and others added 30 commits October 21, 2025 13:27
@JerryChen97
qml.grad: argnum -> argnums (#1578)
6c262a8 
**Title:**

**Summary:**
We deprecated the `argnum` kwarg; instead, should be `argnums`

**Relevant references:**

**Possible Drawbacks:**

**Related GitHub Issues:**
@actions-user
Merge branch 'master' into dev
f34648d
@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
b551e9a
@andrijapau @doctorperceptron @Jaybsoni
fix dev deprecation warnings (#1580)
f9fee92 
Relocation of these resource tools to estimator module.

---------

Co-authored-by: Paul Finlay <50180049+doctorperceptron@users.noreply.github.com>
Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca>
@actions-user
Merge branch 'master' into dev
1cc3849
@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@andrijapau
chore: drop numpy~=1.X support and clean-up demo dependencies / ven…
a0a80cc 
…v handling (#1584)

PL is dropping support for numpy 1.X, qml should follow.

Tested against all demos here:
https://github.com/PennyLaneAI/qml/actions/runs/18913267652/job/54010652909

[sc-101547]
@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
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@doctorperceptron @CatalinaAlbornoz
@ddhawan11 @soranjh @agran2018 @ixfoduap @josh146 @daniela-angulo @josephbowles @vbelis
Fix merge master to dev (#1612)
31fa98c 
Automatic nightly merge of master into dev
[failed](https://github.com/PennyLaneAI/qml/actions/runs/19826906204/job/56802544082).
This PR resolves the conflict.

---------

Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com>
Co-authored-by: Diksha Dhawan <40900030+ddhawan11@users.noreply.github.com>
Co-authored-by: soranjh <soran.jahangiri@gmail.com>
Co-authored-by: Soran Jahangiri <40344468+soranjh@users.noreply.github.com>
Co-authored-by: agran2018 <45397799+agran2018@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: Josh Izaac <josh146@gmail.com>
Co-authored-by: Daniela Angulo <42325731+daniela-angulo@users.noreply.github.com>
Co-authored-by: Diksha Dhawan <ddhawan@umich.edu>
Co-authored-by: josephbowles <54283511+josephbowles@users.noreply.github.com>
Co-authored-by: Vasilis Belis <48251467+vbelis@users.noreply.github.com>
@actions-user
Merge branch 'master' into dev
0be3608
@actions-user
Merge branch 'master' into dev
6f508b4
@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
bb908d5
@actions-user
Merge branch 'master' into dev
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@actions-user
Merge branch 'master' into dev
7cba598
@doctorperceptron
Fix qrack metadata
79574b2
@astralcai
Update map_wires call (#1622)
e44a0b0 
**Title:**

**Summary:**
Now that `qml.map_wires` is a transform, the first argument is
positional. Update `map_wires(input=...)` to `map_wires(...)`

**Relevant references:**

**Possible Drawbacks:**

**Related GitHub Issues:**
ddhawan11 and others added 14 commits January 29, 2026 11:42
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
14ec008 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
e601967 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
475305a 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
1c3e0a2 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
ee20b6d 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
e8b0cc5 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
8cc508a 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
96b202d 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
4594432 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
06dd299 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
a8dc7ef 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
288baf0 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11
Addressed comments
81dd892
@ddhawan11
Merge branch 're_for_spectroscopy' of https://github.com/PennyLaneAI/qml
b7edbef 
 into re_for_spectroscopy
AntonNI8
AntonNI8 reviewed Jan 30, 2026
View reviewed changes
ddhawan11 and others added 10 commits February 2, 2026 10:48
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
dea6312 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
72392f8 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
9c25e87 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
2f56d76 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
5ab641a 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
7e83086 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
ada5007 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
2b3e16e 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11 @AntonNI8
Update demonstrations_v2/tutorial_re_for_spectroscopy/demo.py
ac2f1ba 
Co-authored-by: ANT0N <39093564+AntonNI8@users.noreply.github.com>
@ddhawan11
updated metadata
617d7f5
@ddhawan11 ddhawan11 changed the base branch from dev to master February 2, 2026 16:03
@Alex-Preciado Alex-Preciado removed the request for review from a team February 3, 2026 05:08
@ddhawan11 ddhawan11 requested a review from Chiffafox February 3, 2026 18:22
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@ddhawan11 @AntonNI8 @JerryChen97 @actions-user @andrijapau @doctorperceptron @astralcai @comp-phys-marc @obliviateandsurrender @mudit2812