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The electronic structure package for quantum computers.

Results 129 OpenFermion issues
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Similar to [TFQ](https://github.com/tensorflow/quantum/actions/workflows/cirq_compatibility.yaml) OpenFermion could benefit from knowing about breaking changes earlier rather than later coming from Cirq.

To get this codebase up to standard, we need to add type hints. At the very least, perhaps we should start insisting that all new code has type hints added,...

help wanted
good first issue
large project
priority/p2
no QC knowledge needed

`DOCIHamiltonian` subclasses `PolynomialTensor`. That means, if a user applies `get_sparse_operator` to an instantiation of a `DOCIHamiltonian`, it will 'work' and automatically assume that it is a `FermionOperator` according to [this...

area/functionality

In eq 36 from https://journals.aps.org/prx/pdf/10.1103/PhysRevX.8.041015 the norm of the Hamiltonian is used. In fact, this Hamiltonian norm is used also in other articles that do not use plane waves, such...

Hello, I'm a student using OpenFermion for a project, and I'm having a problem with openfermion.circuits.trotterize_exp_qubop_to_qasm. I was trying to use it to trotterize the UCCSD operator, but it was...

help wanted
good first issue
area/functionality
priority/p2
area/trotter

We have three tests that rely on the pubchempy module for retrieving data from the PubChem db: * ExamplesTest.test_can_run_examples_jupyter_notebooks, * OpenFermionPubChemTest.test_helium, * OpenFermionPubChemTest.test_water, defined in * src/openfermion/tests/_examples_test.py, * src/openfermion/utils/_pubchem_test.py. Since...

help wanted
area/dependencies
area/python
priority/p2
no QC knowledge needed

Hi, A while ago (https://github.com/quantumlib/OpenFermion/pull/376#pullrequestreview-131830920) you preferred conda packages of openfermion to remain on the psi4 channel. That's worked nicely so far through v0.11. I just finished packaging v1.0 and...

PR #632 has cleaned up most of operator_utils, but the hermitian conjugation routines remain there. I'd like to refactor them into SymbolicOperator/PolynomialTensor - perhaps as an op.hc() or op.herm() routine...

It would be really nice to have orbital optimization routines in OpenFermion. A basic one can be made with the Hartree-Fock gradient code.

area/optimization

I notice that there is no materials about variational quantum eigensolvers (VQE) in the documentation of OpenFermion. I suppose the algorithm is a hot spot for the lastest researches of...

feature request