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Chemistry library, SPSA sample, and notebook #2105

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merged 5 commits into from
Feb 5, 2025

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@swernli swernli commented Jan 16, 2025

Converting the old chemistry library and Variational Quantum Algorithms sample to modern QDK. As part of this, I tried where possible to update to our newer Q# programming patterns. I've tried to make sure we export on the reasonable part of the APIs as public facing, but if there is something that is not exported and should be or something that is exported and shouldn't be we can adjust.

For the original library code, see https://github.com/microsoft/QuantumLibraries/tree/main/Chemistry/src/Runtime.
For the original sample notebook, see https://github.com/microsoft/Quantum/blob/main/samples/algorithms/variational-algorithms/Variational%20Quantum%20Algorithms.ipynb

@swernli swernli marked this pull request as ready for review February 4, 2025 00:07
@swernli swernli requested a review from msoeken February 4, 2025 00:08
DmitryVasilevsky and others added 2 commits February 4, 2025 23:03
Redundant code removed (Especially state preparation and LE comparison),
some renames, some cleanup of old syntax.
Added test for superposition preparation.

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Co-authored-by: Dmitry Vasilevsky <dmitryv@microsoft.com>
@DmitryVasilevsky DmitryVasilevsky added this pull request to the merge queue Feb 5, 2025
Merged via the queue into main with commit 48400b8 Feb 5, 2025
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@DmitryVasilevsky DmitryVasilevsky deleted the swernli/chemistry branch February 5, 2025 07:36
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3 participants