(QCxQC) David Zsolt Manrique: Momentum-Space Unitary Couple Cluster & Translational Subspace ...
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Full talk title: Momentum-Space Unitary Couple Cluster and Translational Quantum Subspace Expansion for Periodic Systems on Quantum Computers
Authors: David Zsolt Manrique, Irfan T. Khan, Kentaro Yamamoto, Vijja Wichitwechkarn and David Muñoz Ramo
Abstract: We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations. To reduce required quantum resources, such as the number of UCCSD amplitudes, circuit depth, required number of qubits and number of measurement circuits, we investigate a translational Quantum Subspace Expansion method for the localized representation of the periodic Hamiltonian. We compare accuracy and computational costs for a range of geometries for 1D chains of dimerized hydrogen, helium and lithium hydride and also demonstrate VQE calculations for 2D and 3D hydrogen and helium lattices.