Skip to content
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

Chem tutorial 2 #192

Merged
merged 11 commits into from Aug 10, 2023
Merged

Chem tutorial 2 #192

merged 11 commits into from Aug 10, 2023

Conversation

dchung0741
Copy link
Contributor

Chemistry tutorial involving:

  • Hamiltonian generation.
  • Fermion-qubit mapping.
  • Advanced guide on computing electron integrals.

"cell_type": "markdown",
"metadata": {},
"source": [
"We now demonstrate the detailed steps to obtain the `SpinMOeInt` from molecule without the `get_spin_mo_integrals_from_mole` function introduced in the [Hamiltonian generation tutorial](https://quri-parts.qunasys.com/tutorials/mo_eint_and_hamiltonian):\n",
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Suggested change
"We now demonstrate the detailed steps to obtain the `SpinMOeInt` from molecule without the `get_spin_mo_integrals_from_mole` function introduced in the [Hamiltonian generation tutorial](https://quri-parts.qunasys.com/tutorials/mo_eint_and_hamiltonian):\n",
"We now demonstrate the detailed steps to obtain the `SpinMOeInt` from molecule without the `get_spin_mo_integrals_from_mole` function introduced in the [Hamiltonian generation tutorial](mo_eint_and_hamiltonian.ipynb):\n",

Copy link
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I have fixed this.

"cell_type": "markdown",
"metadata": {},
"source": [
"The `full_space_jw_hamiltonian` and `active_space_jw_hamiltonian` are the hamiltonian we desired. The full space and active space operator and state mapper are functions that are able to perform fermion-qubit mapping for other operators and states in further computations. Their usage can be found in the [Fermion-Qubit Mapping Hamiltonian Tutorial](https://quri-parts.qunasys.com/tutorials/qubit_operator_mapping)."
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Suggested change
"The `full_space_jw_hamiltonian` and `active_space_jw_hamiltonian` are the hamiltonian we desired. The full space and active space operator and state mapper are functions that are able to perform fermion-qubit mapping for other operators and states in further computations. Their usage can be found in the [Fermion-Qubit Mapping Hamiltonian Tutorial](https://quri-parts.qunasys.com/tutorials/qubit_operator_mapping)."
"The `full_space_jw_hamiltonian` and `active_space_jw_hamiltonian` are the hamiltonian we desired. The full space and active space operator and state mapper are functions that are able to perform fermion-qubit mapping for other operators and states in further computations. Their usage can be found in the [Fermion-Qubit Mapping Hamiltonian Tutorial](qubit_operator_mapping.ipynb)."

Copy link
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I have fixed this.

"cell_type": "markdown",
"metadata": {},
"source": [
"We first prepare a fermionic Hamiltonian for later demonstration. For generating the molecular Hamiltonian, please refer to the [Hamiltonian generation tutorial](https://quri-parts.qunasys.com/tutorials/mo_eint_and_hamiltonian)."
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Suggested change
"We first prepare a fermionic Hamiltonian for later demonstration. For generating the molecular Hamiltonian, please refer to the [Hamiltonian generation tutorial](https://quri-parts.qunasys.com/tutorials/mo_eint_and_hamiltonian)."
"We first prepare a fermionic Hamiltonian for later demonstration. For generating the molecular Hamiltonian, please refer to the [Hamiltonian generation tutorial](mo_eint_and_hamiltonian.ipynb)."

Copy link
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I have fixed this.

@dchung0741
Copy link
Contributor Author

dchung0741 commented Aug 9, 2023

Do we want the nested sidebar for the chemistry tutorials as well?

@kwkbtr
Copy link
Contributor

kwkbtr commented Aug 9, 2023

Yeah, that may be a good idea!

@dchung0741
Copy link
Contributor Author

I just added it.

Copy link
Contributor

@kwkbtr kwkbtr left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Great, thanks!

@kwkbtr kwkbtr merged commit d19d1ec into main Aug 10, 2023
3 checks passed
@kwkbtr kwkbtr deleted the chem_tutorial_2 branch August 10, 2023 02:28
@github-actions github-actions bot locked and limited conversation to collaborators Aug 10, 2023
Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants