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We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulation with noisy intermediate scale (NISQ) and error corrected…

In fault-tolerant quantum computing, the cost of calculating Hamiltonian eigenvalues using the quantum phase estimation algorithm is proportional to the constant scaling the Hamiltonian matrix block-encoded in a unitary circuit. We present…

Quantum Physics · Physics 2024-12-03 Konrad Deka , Emil Zak

We demonstrate a method that merges the quantum filter diagonalization (QFD) approach for hybrid quantum/classical solution of the time-independent electronic Schr\"odinger equation with a low-rank double factorization (DF) approach for the…

Quantum Physics · Physics 2022-03-21 Jeffrey Cohn , Mario Motta , Robert M. Parrish

Large integer factorization is a prominent research challenge, particularly in the context of quantum computing. This holds significant importance, especially in information security that relies on public key cryptosystems. The classical…

Quantum Physics · Physics 2023-10-24 Imran Khan Tutul , Sara Karimi , Mohammadreza Soltaninia , Junpeng Zhan

Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves…

Fault-tolerant quantum computation requires minimizing non-Clifford gates, whose implementation via magic state distillation dominates the resource costs. While $T$-count minimization is well-studied, dedicated $CCZ$ factories shift the…

Quantum Physics · Physics 2026-02-18 Kirill Khoruzhii , Patrick Gelß , Sebastian Pokutta

The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its eigenvalues. The typical approach of using the 1-norm…

We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…

Practical applicability of quantum optimisation on near term devices is constrained by limited qubit counts and hardware noise, which restricts the scalability of quantum optimisation algorithms for combinatorial problems. The simulation of…

Quantum Physics · Physics 2026-05-01 Namasi G Sankar , Georgios Miliotis , Simon Caton

While quantum computing holds great potential in combinatorial optimization, electronic structure calculation, and number theory, the current era of quantum computing is limited by noisy hardware. Many quantum compilation approaches can…

Quantum Physics · Physics 2024-08-13 Max Aksel Bowman , Pranav Gokhale , Jeffrey Larson , Ji Liu , Martin Suchara

We present two new constructions for the Toffoli gate which substantially reduce resource costs in fault-tolerant quantum computing. The first contribution is a Toffoli gate requiring Clifford operations plus only four $T =…

Quantum Physics · Physics 2013-03-18 Cody Jones

Simulation of the Hubbard model is a leading candidate for the first useful applications of a fault-tolerant quantum computer. A recent study of quantum algorithms for early simulations of the Hubbard model [Kivlichan \textit{et al.}…

Quantum Physics · Physics 2024-07-25 Earl T. Campbell

Quantum computing applications in the noisy intermediate-scale quantum (NISQ) era require algorithms that can generate shallower circuits feasible for today's quantum systems. This is particularly challenging for quantum chemistry…

The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…

Encoding qubits in multiple degrees of freedom (DOFs) of a quantum system allows less-decoherence quantum information processing with much less quantum resources. We present a compact and scalable quantum circuit to determinately implement…

Quantum Physics · Physics 2016-10-19 Hai-Rui Wei , Fu-Guo Deng , Gui Lu Long

Achieving chemical accuracy for strongly correlated molecules is a defining milestone for first-generation, fault-tolerant quantum computers, yet the factorial growth of three, four, and six-index tensor contractions in coupled-cluster…

Quantum image computing has emerged as a groundbreaking field, revolutionizing how we store and process data at speeds incomparable to classical methods. Nevertheless, as image sizes expand, so does the complexity of qubit connections,…

Quantum Physics · Physics 2025-02-26 Ershadul Haque , Manoranjan Paul

Simulating many-body quantum systems is a promising task for quantum computers. However, the depth of most algorithms, such as product formulas, scales with the number of terms in the Hamiltonian, and can therefore be challenging to…

Quantum Physics · Physics 2023-04-19 Oriel Kiss , Michele Grossi , Alessandro Roggero

The inherently high computational cost of iterative self-consistent-field (SCF) methods proves to be a critical issue delaying visual and haptic feedback in real-time quantum chemistry. In this work, we introduce two schemes for SCF…

Chemical Physics · Physics 2016-03-10 Adrian H. Mühlbach , Alain C. Vaucher , Markus Reiher

It is crucial to reduce the resources required to run quantum algorithms and simulate physical systems on quantum computers due to coherence time limitations. With regards to Hamiltonian simulation, a significant effort has focused on…

Quantum Physics · Physics 2022-12-01 Diana B. Chamaki , Stuart Hadfield , Katherine Klymko , Bryan O'Gorman , Norm M. Tubman
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