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qiskit-community / qiskit-nature-pyscf

Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/
Apache License 2.0
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Periodic system simulations #64

Open KarimElgammal opened 1 month ago

KarimElgammal commented 1 month ago

simulating periodic systems or slab with qiskit and pyscf

Hi! I am wondering how can I simulate periodic systems using qiskit-nature-pyscf such as a slab of Si for example

I came across the issue in https://github.com/qiskit-community/qiskit-nature/issues/988 where there was some refers that this newer repo can have the implementation for periodic embedding technique

mrossinek commented 1 month ago

The pipeline for simulating periodic systems has not been tested in the context of this plugin. That does not mean it does not work, I simply do not know. If you do test it and find that it works, please feel free to contribute a PR which adds unttests (and any additional required changes) such that the support can be validated continuously.