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Additional kernels for chemistry applications by 1tnguyen · Pull Request #731 · NVIDIA/cuda-quantum · GitHub
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@1tnguyen 1tnguyen commented Oct 3, 2023

Description

This PR adds Givens rotation and Fermionic SWAP kernels as requested in #586.

  • Add fermionic swap gates and givens rotations as a header only C++ library that defines device kernels.

  • Overload for kernel_builder + Python use.

  • Add support for controlled exp_pauli in simulators so that cudaq::control works for givens rotation.

  • Adjust exp_pauli angle scaling in qpp simulator match the math:

$$\exp(i\theta Z) = \begin{bmatrix}\exp(i\theta) & 0 \\ 0 & \exp(-i\theta) \end{bmatrix} = Rz(-2\theta)$$

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github-actions bot commented Oct 3, 2023

CUDA Quantum Docs Bot: A preview of the documentation can be found here.

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github-actions bot commented Oct 3, 2023

CUDA Quantum Docs Bot: A preview of the documentation can be found here.

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@1tnguyen 1tnguyen marked this pull request as ready for review October 3, 2023 22:42
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CUDA Quantum Docs Bot: A preview of the documentation can be found here.

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Looks great. You'll probably want someone more conversant in the algorithms to look at it.

Otherwise, just a few nits found under the microscope. :)

1tnguyen and others added 2 commits October 5, 2023 08:16
Co-authored-by: Eric Schweitz <eschweitz@nvidia.com>
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LGTM. Just a few minor comments 👍

1tnguyen and others added 2 commits October 5, 2023 22:06
- Randomized tests => sweep tests (they are fast)

- Removed empty Doxygen comments
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CUDA Quantum Docs Bot: A preview of the documentation can be found here.

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github-actions bot commented Oct 6, 2023

CUDA Quantum Docs Bot: A preview of the documentation can be found here.

github-actions bot pushed a commit that referenced this pull request Oct 6, 2023
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github-actions bot commented Oct 6, 2023

CUDA Quantum Docs Bot: A preview of the documentation can be found here.

github-actions bot pushed a commit that referenced this pull request Oct 6, 2023
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github-actions bot commented Oct 6, 2023

CUDA Quantum Docs Bot: A preview of the documentation can be found here.

github-actions bot pushed a commit that referenced this pull request Oct 6, 2023
@1tnguyen 1tnguyen merged commit 8faa806 into NVIDIA:main Oct 6, 2023
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@1tnguyen 1tnguyen added the enhancement New feature or request label Oct 6, 2023
@1tnguyen 1tnguyen added this to the release 0.5.0 milestone Oct 6, 2023
@bettinaheim bettinaheim changed the title Add some kernels for chemistry applications Additional kernels for chemistry applications Nov 15, 2023
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4 participants