D4.8: QCCC Gamma

The software described in this document allows for the calculation of the ground state energy of a graphene+CO2 system by using the variational quantum eigensolver (VQE). Such as in the D4.2-QCCC alpha report (Sennane & Rancic, 2022a), two types of quantum computing ansatze are implemented (the hardware efficient one and the qUCCSD), although this report particularly focuses on VQE+qUCCSD. The code supports noisy simulations, modification of size and deformation of the graphene sheet as well as modifying the orientation of CO2 molecule. The code is available on Github : https://github.com/NEASQC/D4.8.