Our group is interested in the development of new quantum computing algorithms for Computational chemistry. We focus on :

  • algorithmic developments,
  • real-life quantum computer implementations on digital and analogic systems,
  • quantum emulators developments.

The Hyperion-1 Quantum Emulator

  • This  software is able to emulate a quantum computer on classical hardware, conducting exact gate-based quantum simulations on (multi)GPU-accelerated supercomputing systems (in collaboration with Qubit Pharmaceuticals).

OpenVQE: an Open Source Quantum Chemistry Package

  • this package is an Open Source Variational Quantum Eigensolver extension of the Captiva environnent to Quantum Chemistry. It was developed based on the tools of myqlm-fermion. It is freely available on GitHub: [Link] ; see publication [here] (Open Access).

Selected publications in Quantum Computing

  1. Calculating the ground state energy of benzene under spatial deformations with noisy quantum computing.
    W. Sennane, J.-P. Piquemal, M. J. Rančić, Phys. Rev. A, 2023, 107, 012416 [HAL][ArXiv]
    DOI: 10.1103/PhysRevA.107.012416
  2. Open Source Variational Quantum Eigensolver Extension of the Quantum Learning Machine (QLM) for Quantum Chemistry.
    M. Haidar,  M. J. Rančić, T. Ayral, Y. Maday, J.-P. Piquemal, WIREs Comp. Mol. Sci., 2023, e1664 
    (Open Access) [HAL][ArXiv]
    DOI: 10.1002/wcms.1664
  3. Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations.
    M. Haidar,
     M. J. Rančić, Y. Maday, J.-P. Piquemal, J. Phys. Chem. A, 2023127, 15, 3543–3550 [HAL][ArXiv]
    DOI: 10.1021/acs.jpca.3c01753
  4. Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze
    C. Feniou, M. Hassan, D. Traoré, E. Giner, Y. Maday, J.-P. Piquemal, Commun. Phys., 2023, 6, 192 (Open Access) [HAL][ArXiv][PDF]
    DOI: 10.1038/s42005-023-01312-y 
    Blog: Check our “Behind the paper” post on the Nature Physics community [LINK]
  5. Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer.
    C. Feniou, B. Claudon, M. Hassan, A. Courtat, O. Adjoua, Y. Maday, J.-P. Piquemal, 2023, submitted [HAL][ArXiv][PDF]
    DOI: 10.48550/arXiv.2306.17159
  6. Leveraging Analog Quantum Computing with Neutral Atoms for Solvent Configuration Prediction in Drug Discovery.
    M. D’Arcangelo, D. Loco, Fresnel team, Nicolaï Gouraud, S. Angebault, J. Sueiro, P. Monmarché, J. Forêt, L.-P. Henry, L. HenrietJ.-P. Piquemal, 2023, submitted [HAL][ArXiv][PDF]
    DOI: 10.48550/arXiv.2309.12129
  7. Sparse Quantum State Preparation for Strongly Correlated Systems.
     Feniou, O. Adjoua, B. Claudon, J. Zylberman, E. Giner, J.-P. Piquemal, 2023, submitted [HAL][ArXiv]
    DOI: 10.48550/arXiv.2311.03347
  8. Polylogarithmic-depth controlled-NOT gates without ancilla qubits.
    B. Claudon,  J. Zylberman, C. Feniou, F. Debbasch, A. Peruzzo, J.-P. Piquemal, 2023, submitted [HAL][ArXiv]
    DOI: 10.48550/arXiv.2312.13206

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