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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…
Quantum Krylov subspace diagonalization is a prominent candidate for early fault tolerant quantum simulation of many-body and molecular systems, but so far the focus has been mainly on computing ground-state energies. We go beyond this by…
Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD…
The estimation of low energies of many-body systems is a cornerstone of computational quantum sciences. Variational quantum algorithms can be used to prepare ground states on pre-fault-tolerant quantum processors, but their lack of…
The problem of estimating the ground-state energy of a quantum system is ubiquitous in chemistry and condensed matter physics. Krylov quantum diagonalization (KQD) has emerged as a promising approach for this task. However, many KQD methods…
Simulating quantum systems is one of the most promising tasks where quantum computing can potentially outperform classical computing. However, the robustness needed for reliable simulations of medium to large systems is beyond the reach of…
The Krylov subspace methods, being one category of the most important classical numerical methods for linear algebra problems, can be much more powerful when generalised to quantum computing. However, quantum Krylov subspace algorithms are…
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…
Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in…
Krylov subspace methods are an essential building block in numerical simulation software. The efficient utilization of modern hardware is a challenging problem in the development of these methods. In this work, we develop Krylov subspace…
Quantum subspace diagonalization and quantum Krylov algorithms offer a feasible, pre- or early-fault tolerant alternative to quantum phase estimation for using quantum computers to estimate the low-lying spectra of quantum systems. However,…
We present an iterative generalisation of the quantum subspace expansion algorithm used with a Krylov basis. The iterative construction connects a sequence of subspaces via their lowest energy states. Diagonalising a Hamiltonian in a given…
Approximating the ground state of many-body systems is a key computational bottleneck underlying important applications in physics and chemistry. The most widely known quantum algorithm for ground state approximation, quantum phase…
Rational Krylov subspace (RKS) techniques are well-established and powerful tools for projection-based model reduction of time-invariant dynamic systems. For hyperbolic wavefield problems, such techniques perform well in configurations…
Computing eigenvalues is a computationally intensive task central to numerous applications in the natural sciences. Toward this end, we investigate the quantum block Krylov subspace projector (QBKSP) algorithm - a multireference quantum…
Quantum Krylov subspace methods can extract ground and excited states by diagonalizing the Hamiltonian in a compact variational space. In practice, these spaces are almost always generated by real or imaginary time evolution, forcing a…
Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of many-body quantum systems on pre-fault-tolerant and…
Krylov quantum diagonalization methods have emerged as a promising use case for quantum computers. However, many existing implementations rely on controlled operations, which pose challenges to near-term quantum hardware. We introduce a…
Quantum subspace diagonalization (QSD) algorithms have emerged as a competitive family of algorithms that avoid many of the optimization pitfalls associated with parameterized quantum circuit algorithms. While the vast majority of the QSD…
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…