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PennyLaneAI / pennylane

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
https://pennylane.ai
Apache License 2.0
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Parallelization in Hamiltonians building #4958

Open morgoth00 opened 9 months ago

morgoth00 commented 9 months ago

Feature details

Parallelization in the construction of Hamiltonians. Depending on the molecule this process can take a long time and if it can be parallelized it can mean a huge reduction in processing time.

Implementation

I have no idea of how to implement or if it is possible, but if possible this is a very important feature.

How important would you say this feature is?

3: Very important! Blocking work.

Additional information

Pennylane has the pyscf method which is faster then default method, but it’s a non-differentiable backend, so it may not be suitable in some cases.

minhtriet commented 9 months ago

What is wrong with Python multiprocessing?

albi3ro commented 9 months ago

Thanks for opening this issue @morgoth00 . Which method are you using to construct a Hamiltonian?