The primary code repository for investigating IBMQ topology dependent qubit cutting for chemical Hamiltonian

Chemical Hamiltonian

The folder mol_dala and the configuration_files contails all the relevant molecular Hamiltonian and the configurations to run experiments. We primarily focus on the 4 qubit LiH and H2 molecules.

The code

Variational quantum eigensolver and the RL agent

The VQE to optimize the moleculer energy and the RL-agent is constructed based on the Y. Patel, Curriculum reinforcement learning for quantum architecture search under hardware errors, ICLR 2024

Qubit cuttings

The utils_qas.py generates the action space for the RL agent corresponding to different cuts.

Running the code

To run the code one need to define the seed for agent and the configuration files needed to be executed using the following command file:

python main.py --seed 100 --config lbmt_cobyla_triangle2_H24q0p35 --experiment_name "finalize/"