Related papers: Sample-Based Quantum Diagonalization with Amplitud…
Quantum subspace diagonalization (QSD) methods are quantum-classical hybrid methods, commonly used to find ground and excited state energies by projecting the Hamiltonian to a smaller subspace. In applying these, the choice of subspace…
The Quantum Approximate Optimization Algorithm (QAOA) is a quantum-classical hybrid algorithm intending to find the ground state of a target Hamiltonian. Theoretically, QAOA can obtain the approximate solution if the quantum circuit is deep…
We present several refinements and extensions of the statistical quantum phase estimation (SQPE) framework to address some of its key practical limitations, improving its applicability to realistic cases. Recently, a family of statistical…
Quantum Krylov subspace diagonalization (QKSD) is an emerging method used in place of quantum phase estimation in the early fault-tolerant era, where limited quantum circuit depth is available. In contrast to the classical Krylov subspace…
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…
We evaluate the Sample-based Krylov Quantum Diagonalization (SKQD) algorithm on one- and two-dimensional Heisenberg models, including strongly correlated regimes in which the ground state is dense. Using problem-informed initial states and…
We provide a systematic evaluation of the sample-based quantum diagonalization (SQD) method for electronic structure based on the W4-11 thermochemistry dataset, comprising 124 total atomization, 83 bond dissociation, 20 isomerization, 505…
Quantum annealing (QA) is a hardware-based heuristic optimization and sampling method applicable to discrete undirected graphical models. While similar to simulated annealing, QA relies on quantum, rather than thermal, effects to explore…
We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms).…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
Preparing the ground state of a Hamiltonian is a problem of great significance in physics with deep implications in the field of combinatorial optimization. The adiabatic algorithm is known to return the ground state for sufficiently long…
The development of new superconducting circuits and the improvement of existing ones rely on the accurate modeling of spectral properties which are key to achieving the needed advances in qubit performance. Systematic circuit analysis at…
Simulated Quantum Annealing (SQA) is a Markov Chain Monte-Carlo algorithm that samples the equilibrium thermal state of a Quantum Annealing (QA) Hamiltonian. In addition to simulating quantum systems, SQA has also been proposed as another…
This paper presents a methodology for using varying sample sizes in sequential quadratic programming (SQP) methods for solving equality constrained stochastic optimization problems. The first part of the paper deals with the delicate issue…
We propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Compared to previous real-time evolution quantum Krylov…
The sample-based quantum diagonalization (SQD) method shows great promise in quantum-centric simulations of ground state energies in molecular systems. Inclusion of solute-solvent interactions in simulations of electronic structure is…
Quantum Amplitude Amplification (QAA), the generalization of Grover's algorithm, is capable of yielding optimal solutions to combinatorial optimization problems with high probabilities. In this work we extend the conventional 2-dimensional…
One of the distinct features of quantum mechanics is that the probability amplitude can have both positive and negative signs, which has no classical counterpart as the classical probability must be positive. Consequently, one possible way…
In this paper, we introduce stochastic simulated quantum annealing (SSQA) for large-scale combinatorial optimization problems. SSQA is designed based on stochastic computing and quantum Monte Carlo, which can simulate quantum annealing (QA)…
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classical algorithms offer a potential route to overcome these…