Using Python's "Concurrent.futures" module for Multi-Processing VQE Code

[CatalinaAlbornoz]

Hi @ImranNasrullah ,

Since you opened the new thread let’s continue the conversation there instead! Unless there’s something specific about your previous question that you want to discuss here.

Adding Hamiltonian Terms Takes Super Long

Hello! I’m running VQE for a water dimer with 16 electrons, 12 orbitals (24 qubits). It seems the bottleneck in the program is adding both Hamiltonians in this function: [image] The calculation of the res term in finite_diff_r1 takes insanely long, which isn’t a surprise because a single Hamiltonian looks like: [image] So +14,000 terms. Is there anyway to reduce the time taken to add these two together? I’d normally consider to ways to make a reduced Hamiltonian like qubit tapering(but th…