The Czech National Competence Center in HPC invites you to the Quantum Computing Seminar: SAOOVQE – Where Quantum Chemistry Meets Quantum Computing, which will take place online and onsite at IT4Innovations on 13 February 2025.
The development of hybrid quantum-classical algorithms has transformed quantum chemistry simulations. This seminar will introduce the State-Averaged Orbital-Optimized Variational Quantum Eigensolver (SA-OO-VQE), an advanced version of the Variational Quantum Eigensolver (VQE). This method optimizes both molecular orbitals and wavefunction parameters simultaneously, enhancing the accuracy of quantum simulations, particularly for systems that exhibit near-degenerate or multi-reference states. SA-OO-VQE has shown promising results in accurately capturing both ground and excited states across various molecular systems. The seminar will cover both theoretical and experimental aspects of this method and offer insights into how SA-OO-VQE can facilitate future applications in quantum chemistry. Additionally, it will demonstrate practical examples of calculations using the SA-OO-VQE package available on PyPI, highlighting its applications in quantum chemistry.
