Add Quantum Drude Oscillator Notebook#1506
Add Quantum Drude Oscillator Notebook#1506king-p3nguin wants to merge 2 commits intoClassiq:mainfrom
Conversation
|
Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
|
🔥 New notebook just dropped! @amir-naveh , @TomerGoldfriend — come check out this shiny new addition to our repo. |
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
I would add a formal definition for k (like in the get_rightmost_zero_pos function)
Also, please change the ket and bra to | \rangle and \langle |, since the documentation doesn't support ket and bra.
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
I would show why one of these is correct by a simple calculation, or omit the print statement.
and add a statement that they are indeed hermitian conjugates (or omit one of them)
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
It is better to add an assert statement in both m=1 and m=2, the m=1 is clear but in the m=2 it is hard to compare. You can create an object (for example for m=2) x1x2_analytical = ((np.sqrt(3)+2)/4) Pauli.X(0)*Pauli.X(2) + ....
and then assert that x1x2 is close to x1x2_analytical.
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
Here, it might simplify the derivation to not that a^dagger a is diagonal in the fock basis and then just evaluate |n><n| in term of the Z and I pauli operators
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
This should be modified to fit the update way to minimize and perform VQE.
If you have any questions, let me know:)
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
I'm missing a bit of motivation, why are you comparing this?
Is this just a benchmark?
In the beginning you mentioned 3 molecules so it is worth motivating this calculation and emphasis what it infers.
Reply via ReviewNB
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
| @@ -0,0 +1,1091 @@ | |||
| { | |||
There was a problem hiding this comment.
Again, these results should be explained/analyzed.
In addition, I would add a comparison of the 3 molecules to showcase the many-body dispersion phenomena and exemplify what you say in the beginning " however, the total force does not simply triple when a third molecule is introduced" this is super interesting and would be really nice to show how the drude model supports this.
The notebook is well written, interesting and clear!
Thanks for the contribution:)
Reply via ReviewNB
PR Description
I added a notebook for solving the quantum Drude oscillator model.
The notebook includes:
classiq*This notebook was created during an internship at Classiq Japan
Some notes
Please make sure that the notebook runs successfully with the latest Classiq version.
Please make sure that you placed the files in an appropriate folder
.ipynband.qmodto be unique across this repository..qmod,.synthesis_options.json,.metadata.jsonIf applicable, please include link to the paper on which the notebook is based, in the notebook itself.
Please use
rebaseon your branch (no merge commits)Please link this PR to the relevant issue
Please make sure to run
pre-commitwhen commiting changesgitin the terminal, make sure to installpre-commitvia runningpip install pre-commitfollowed bypre-commit installpre-commitdocumentationpre-commit.pre-commitmay minorly alter some files. Make sure togit addthe changes done bypre-commit