# Calculating ground energy using VQE for benzene
**URL:** https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792
**Category:** PennyLane Help
**Created:** [March 31, 2023, 2:12am UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792 "2023-03-31T02:12:38Z")
**Posts on this page:** 7
**Page:** 2
### Author:  [@sjahangiri](https://discuss.pennylane.ai/u/sjahangiri)
#### Post date: [April 27, 2023, 3:15pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/21 "2023-04-27T15:15:22Z")
Hi @Dassen_Sathan. Could you please provide more details on how you computed these energies? What is the classical method you used? I also suggest computing the energy at the Hartree-Fock level to see how different it is from the VQE and classical results.
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### Author:  [@Dassen\_Sathan](https://discuss.pennylane.ai/u/Dassen_Sathan)
#### Post date: [April 27, 2023, 4:40pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/22 "2023-04-27T16:40:45Z")
Hi, @soran\_jahangiri, i’ve used siremol ligandswap technique for computing binding energies ([https://siremol.org/pages/apps/ligandswap.html](https://siremol.org/pages/apps/ligandswap.html)),
General force field of amber tools and autodock vina for docking.
cheers
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### Author:  [@sjahangiri](https://discuss.pennylane.ai/u/sjahangiri)
#### Post date: [April 27, 2023, 6:33pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/23 "2023-04-27T18:33:52Z")
Thanks @Dassen_Sathan. I am not sure if there is a guarantee that the classical force field energies should match the quantum VQE ones. You might compute the Hartree-Fock energy to have another reference point. If you have any questions about the VQE computations, please feel free to let us know.
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### Author:  [@Dassen\_Sathan](https://discuss.pennylane.ai/u/Dassen_Sathan)
#### Post date: [May 1, 2023, 5:39pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/24 "2023-05-01T17:39:40Z")
Hi, @soran\_jahangiri, i could not do the hartree fock energy for the 3htb-2p propylphenol docking, i referred to your tutorial. I wanted to know what is the procedure to convert classical algorithm to quantum algorithm, because i have FEP classical algorithm python code, I would like to convert it to quantum algorithm,
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### Author:  [@isaacdevlugt](https://discuss.pennylane.ai/u/isaacdevlugt)
#### Post date: [May 1, 2023, 5:45pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/25 "2023-05-01T17:45:35Z")
Hey @Dassen_Sathan! It sounds like your application is unique and requires some work! If it helps, you can learn about integrating classical algorithms with quantum ones here:
- [Turning quantum nodes into Keras Layers — PennyLane documentation](https://pennylane.ai/qml/demos/tutorial_qnn_module_tf.html)
- [Turning quantum nodes into Torch Layers — PennyLane documentation](https://pennylane.ai/qml/demos/tutorial_qnn_module_torch.html)
Hope this helps!
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### Author:  [@Dassen\_Sathan](https://discuss.pennylane.ai/u/Dassen_Sathan)
#### Post date: [May 2, 2023, 5:33am UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/26 "2023-05-02T05:33:19Z")
Thanks @isaac, will refer to the reference materials you shared and try to figure a way to get the binding energy. Have a good day.
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### Author:  [@isaacdevlugt](https://discuss.pennylane.ai/u/isaacdevlugt)
#### Post date: [May 2, 2023, 1:55pm UTC](https://discuss.pennylane.ai/t/calculating-ground-energy-using-vqe-for-benzene/2792/27 "2023-05-02T13:55:12Z")
Thanks @Dassen_Sathan! You as well 😃. Let us know if you have any more issues!
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