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tih-vqe

Jun 1, 2023, 00:00 AM

This software aligns with the research paper Exploring the Scaling Limitations of the Variational Quantum Eigensolver With the Bond Dissociation of Hydride Diatomic Molecules, published in the International Journal of Quantum Chemistry. The paper addresses the challenges of simulating materials with strongly correlated electrons, a task well-suited for quantum computing. The study focuses on the variational quantum eigensolver (VQE) algorithm's application to moderately sized, strongly correlated systems, exemplified by the diatomic hydride molecules TiH, LiH, NaH, and KH. The research investigates the near-term feasibility of modeling a molecule with d-orbitals on existing quantum hardware through VQE + UCCSD calculations, revealing challenges related to error rates and hardware limitations for such complex chemical systems.

Title : tih-vqe

Url : https://github.com/NREL/tih-vqe

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