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Initial state preparation demo #950

Merged
merged 76 commits into from
Oct 20, 2023
Merged

Initial state preparation demo #950

merged 76 commits into from
Oct 20, 2023

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Chiffafox
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Title:

Initial state preparation for quantum chemistry

Summary:

This demo is explaining the concept of an initial state -- a primer for a quantum algorithm that improves its chances of success specifically for the task of obtaining the ground-state energy of a molecule. It showcases the newly built functionality in PennyLane for importing outputs from sophisticated computational chemistry methods to initialize better initial states. Finally, it shows how the choice of initial state affects the execution of VQE on a simple molecule, demonstrating the importance of initial state for quantum algorithms and that this can of algorithms R&D can be now performed in PennyLane.

Relevant references:

Possible Drawbacks:

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@Chiffafox Chiffafox changed the base branch from master to dev October 6, 2023 02:21
@Chiffafox Chiffafox marked this pull request as ready for review October 13, 2023 16:45
@Chiffafox Chiffafox changed the title [WIP] Initial state preparation demo Initial state preparation demo Oct 13, 2023
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github-actions bot commented Oct 13, 2023

Thank you for opening this pull request.

You can find the built site at this link.

Deployment Info:

  • Pull Request ID: 950
  • Deployment SHA: 0620b9099dd3e93531805eb8c6afa59571219a04
    (The Deployment SHA refers to the latest commit hash the docs were built from)

Note: It may take several minutes for updates to this pull request to be reflected on the deployed site.

@soranjh soranjh added the qchem label Oct 19, 2023
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@alvaro-at-xanadu alvaro-at-xanadu left a comment

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Amazing improvement! Loved the plot at the end and the comparison between the convergence rates. Code is also much more friendly to read 🚀

Let me know if the suggestion for fixing the rendering error works. If it does, I'll approve 🎉

@KetpuntoG KetpuntoG added the Completed/Ready This label is intended for demos that have been finalized but not yet merged label Oct 20, 2023
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Great work here! Ready to merge, I'll take care of it tomorrow 😊

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@soranjh soranjh left a comment

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Thanks @Chiffafox, left a mall comment on splinting the VQE code block.

demonstrations/tutorial_initial_state_preparation.py Outdated Show resolved Hide resolved
demonstrations/tutorial_initial_state_preparation.py Outdated Show resolved Hide resolved
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@soranjh soranjh left a comment

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Great job @Chiffafox, left one final comment in Conclusions.

demonstrations/tutorial_initial_state_preparation.py Outdated Show resolved Hide resolved
@KetpuntoG KetpuntoG merged commit 9f2d528 into dev Oct 20, 2023
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@KetpuntoG KetpuntoG deleted the qml_isp_demo branch October 20, 2023 18:38
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4 participants