Skip to content

Demo: How to obtain molecular properties from quantum krylov subspace diagonalization #1523

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
wants to merge 11 commits into
base: master
Choose a base branch
from

Conversation

DSGuala
Copy link
Contributor

@DSGuala DSGuala commented Aug 19, 2025

Before submitting

Please complete the following checklist when submitting a PR:

  • Ensure that your tutorial executes correctly, and conforms to the
    guidelines specified in the README.

  • Remember to do a grammar check of the content you include.

  • All tutorials conform to
    PEP8 standards.
    To auto format files, simply pip install black, and then
    run black -l 100 path/to/file.py.

When all the above are checked, delete everything above the dashed
line and fill in the pull request template.


Title:

Summary:

Relevant references:

Possible Drawbacks:

Related GitHub Issues:


If you are writing a demonstration, please answer these questions to facilitate the marketing process.

  • GOALS — Why are we working on this now?

    Eg. Promote a new PL feature or show a PL implementation of a recent paper.

  • AUDIENCE — Who is this for?

    Eg. Chemistry researchers, PL educators, beginners in quantum computing.

  • KEYWORDS — What words should be included in the marketing post?

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

  • Tutorial
  • Demo
  • How-to

Copy link

👋 Hey, looks like you've updated some demos!

🐘 Don't forget to update the dateOfLastModification in the associated metadata files so your changes are reflected in Glass Onion (search and recommendations).

Please hide this comment once the field(s) are updated. Thanks!

@DSGuala DSGuala changed the title How to obtain molecular properties from quantum krylov subspace diagonalization Demo: How to obtain molecular properties from quantum krylov subspace diagonalization Aug 19, 2025
@cvjjm
Copy link

cvjjm commented Aug 22, 2025

Should I go over this early next week?

@cvjjm
Copy link

cvjjm commented Aug 22, 2025

To resolve the pipeline error you will have to pin the autoray version. Ran into that very same problem recently... :-)

@doctorperceptron
Copy link
Collaborator

To resolve the pipeline error you will have to pin the autoray version. Ran into that very same problem recently... :-)

You should also merge master into your branch. I believe there are changes in there related to this issue as well.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

4 participants