New tutorial: generating the electronic hamiltonian #2832
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Signed-off-by: marwafar <mfarag@nvidia.com>
Signed-off-by: marwafar <mfarag@nvidia.com>
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Would you please add it to the applications.rst file? |
Signed-off-by: marwafar <mfarag@nvidia.com>
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Done. Please, note that when running the code, it will generate *.log and *.chk files. To avoid pushing those files, you might need to add these file extension in .gitignore |
Signed-off-by: Sachin Pisal <spisal@nvidia.com>
Command Bot: Processing... |
Signed-off-by: Sachin Pisal <spisal@nvidia.com>
Command Bot: Processing... |
sacpis
approved these changes
Apr 23, 2025
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CUDA Quantum Docs Bot: A preview of the documentation can be found here. |
annagrin
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Jun 17, 2025
* generate ham Signed-off-by: marwafar <mfarag@nvidia.com> * comment the print of ham Signed-off-by: marwafar <mfarag@nvidia.com> * update app.rst, title_imag Signed-off-by: marwafar <mfarag@nvidia.com> * fix format and spelling Signed-off-by: Sachin Pisal <spisal@nvidia.com> * fixing indentation and path Signed-off-by: Sachin Pisal <spisal@nvidia.com> --------- Signed-off-by: marwafar <mfarag@nvidia.com> Signed-off-by: Sachin Pisal <spisal@nvidia.com> Co-authored-by: Sachin Pisal <spisal@nvidia.com> Signed-off-by: Anna Gringauze <agringauze@nvidia.com>
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This tutorial explain how to generate the electronic Hamiltonian then convert it to qubit hamiltonian using Jordan Wigner.
@mawolf2023 initially requested these to finally prepare a set of chemistry exercises that will go into CUDA-Q Academic. Other user also need this to introduce chemists (broadly) to the concepts of quantum computing using cudaq.