QCforQC

Quantum chemistry might be one of the main application area for near term quantum computing. The evaluation of multi-electron integrals by traditional quantum chemistry codes, such as pyscf, ADF, NWCHEM, are usually used to map the physical electrons of the simulated system to the qubits of a quantum circuits. The use of dedicated quantum circuits can then significantly accelerate the calculation of the system’s properties. In this project we are aiming at developing dedicated software to facilitate the interoperability between classical computational chemistry codes and quantum architecture without any programming overhead for the developers or users.