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Bridging Quantum Chemistry and Quantum Computing

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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.

Participating organisations

Netherlands eScience Center
SURF
Vrije Universiteit Amsterdam
Natural Sciences & Engineering
Natural Sciences & Engineering

Team

Nicolas Renaud
Nicolas Renaud
Advisor
Netherlands eScience Center
LV
Luuk Visscher
Co-Applicant
Vrije Universiteit Amsterdam
Rena Bakhshi
Rena Bakhshi
Programme Manager
Netherlands eScience Center
CRR
Carlos M. R. Rocha
eScience Research Engineer
Netherlands eScience Center

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