Bonn 2025 – wissenschaftliches Programm
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QI: Fachverband Quanteninformation
QI 36: Poster – Quantum Information (joint session QI/Q)
QI 36.48: Poster
Donnerstag, 13. März 2025, 17:00–19:00, Tent
Simulating Chemistry with Fermionic Optical Superlattices — •Jin Zhang1, Fotios Gkritsis2, Daniel Dux3, Naman Jain1, Christian Gogolin2, and Philipp Preiss1,4 — 1Max Planck Institute for Quantum Optics, Garching — 2Covestro Deutschland AG, Leverkusen — 3Physikalisches Institut der Universitat Heidelberg — 4Munich Center for Quantum Science and Technology, Munich
Computational chemistry requires finding the ground states of strongly correlated electrons in molecular orbitals. Quantum algorithms and computers promise to provide such ground state energies for molecular systems whose size is beyond the reach of classical numerical methods. One approach is to translate molecular structure problems to fermionic quantum simulators, which naturally obey the fermionic exchange symmetries found in nature. We show that quantum number preserving Ansatze for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using native Hubbard dynamics, trial ground states of molecular Hamiltonians can be prepared and their molecular energies measured in the lattice. The scheme requires local control over interactions and chemical potentials and global control over tunneling dynamics, but foregoes the need for shuttling operations or long-range interactions. Our work enables the application of recent quantum algorithmic techniques, such as Double Factorization and quantum Tailored Coupled Cluster, to present-day fermionic optical lattice systems with significant improvements in the required number of experimental repetitions. We provide detailed quantum resource estimates for hardware experiments.
Keywords: Quantum Chemistry; Optical Lattice; Quantum Algorithms; Quantum Simulation and Computing