I was trying to similate ethanol but the running time to process the hamiltonian itself takes a lot of time. What can I do?
Hi @Hashmitha, welcome to the Forum!
Ethanol is a very large molecule. I’m not sure if there are workarounds for generating the Hamiltonian. Let me get back to you on this.
Hi @Hashmitha ,
Unfortunately the molecule’s so large that there’s not much we can do. Even running openfermion takes long too. The fact is, even if you create the Hamiltonian, there is not much you can do with it since it has 42 qubits.
The PennyLane datasets have some pre-built Hamiltonians for other molecules. You can find them at pennylane.ai/datasets. C2H6 for example has 32 spin orbitals which is very large. On the ‘Download’ button you can choose which information to download. Then you just need to copy the code snippet and run it. Check out our quantum datasets documentation to see what additional libraries you need to download and how to extract the datasets information.
Let me know if you have any questions about using them!
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Oh okay! Thank you so much for letting me know. I’ll for sure check with the resources. Thanks again!
No problem @Hashmitha !