12 papers
Resource-efficient energy-based operator selection in fermionic ADAPT-VQE via exact Hamiltonian transformation
Emanuele Rossi, Erik Rosendahl Kjellgren, Artur F. Izmaylov +3
The energy-based approach to operator selection in ADAPT-VQE relies on reconstructing the one-parameter energy landscape for each operator in the pool. In fermionic implementations…
Bounding Eigenstate Overlap from Hamiltonian Moments: Success Probability Guarantees for Quantum Phase Estimation
Junan Lin, Artur F. Izmaylov
Estimating the overlap between a prepared state and a target eigenstate is crucial for the efficiency of quantum phase estimation (QPE), since QPE succeeds with probability equal t…
Exact Factorization of Unitary Transformations with Spin-Adapted Generators
Paarth Jain, Artur F. Izmaylov, Erik R. Kjellgren
Preserving spin symmetry in variational quantum algorithms is essential for producing physically meaningful electronic wavefunctions. Implementing spin-adapted transformations on q…
Accuracy and resource advantages of quantum eigenvalue estimation with non-Hermitian transcorrelated electronic Hamiltonians
Alexey Uvarov, Artur F. Izmaylov
In electronic structure calculations, the transcorrelated method consists in transforming the Hamiltonian so as to remove the Coulomb cusp in its eigenfunctions. As a result, the w…
Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials
Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev +9
Resonant inelastic X-ray scattering (RIXS) is the workhorse experimental technique for probing the structural degradation of higher-capacity cathode materials. However, the interpr…
Quantum Seniority-based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem
Smik Patel, Praveen Jayakumar, Rick Huang +2
Quantum SENiority-based Subspace Expansion (Q-SENSE) is a hybrid quantum-classical algorithm that interpolates between the Variational Quantum Eigensolver (VQE) and Configuration I…