Where can I get circuits of interest to quantum chemistry to try and simplify?

Question

I am a computer science undergraduate working on a project in simplifying quantum circuits (using the ZX-calculus). I was hoping to try to simplify some circuits of interest rather than randomly generated circuits. I am uninitiated in the physics/chemistry. Where can I find ready-to-go circuits of interest or how can I easily generate circuits like this to try to simplify them?

Answer 1

In the paper A Generic Compilation Strategy for the Unitary Coupled Cluster Ansatz they benchmark on a bunch of chemistry circuits that can be found here. I should add that these circuits contain only a single Trotterisation step of the chemistry simulation. The actual simulation circuit would repeat this structure many many times.

Answer 2

You can create an account at IBM Q Experience for free here. After logging, go to Quantum Lab (incons on left-hand side, it is a fifth icon from top). Here you can find tutorials to quantum computing and Qiskit. There is also part called Chemistry. So, you can use example circuits presented here.

Answer 3

The Qiskit.chemistry is part of the Qiskit Aqua (Algorithms for QUantum computing Applications). The qiskit.chemistry package supports problems including ground state energy computations, excited states and dipole moments of molecule, both open and closed-shell.

The code comprises chemistry drivers, together with a molecular configuration will return one and two-body integrals as well as other data that is efficiently computed classically. The output data from a driver can then be used as input to the chemistry module that contains logic which is able to translate this into a form that is suitable for quantum algorithms. The following API reference would be very helpful to understand the sample Qiskit.chemistry circuits.

Answer 4

You can see the recent Google paper, but I have to say beforehand that this paper doesn't suit you. This paper requires familiarity with both the fields of quantum computing(to understand quantum circuit thing) and atomic-molecular physics(to understand the task and the Hartree-Fock method).

Maybe this qiskit documentation better suits you. With a background of CS, you should be familiar with the travelling salesman problem. But notes that this is another path of quantum computing, it focused on the Hamiltonian which depicts the time-evolution of the system while on the contrary, the quantum circuit acts on the state vector(or say qubits) step by step.

(Quantum annealing always using the time-dependent-Hamiltonian, I have not seen the Hamiltonian of this qiskit case but I guess this is in fact quantum annealing. But do not be that worry, quantum Turing machine, quantum circuit model and quantum annealer can be polynomially equivalent.)

I have to admit that this answer may not be that helpful to you.