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Coupled decompositions are a widely used tool for data fusion. As the volume of data increases, so does the dimensionality of matrices and tensors, highlighting the need for more efficient coupled decomposition algorithms. This paper…
Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…
This paper introduces an innovative quantum-inspired method for beamforming (BF) optimization in multiple-input multiple-output (MIMO) arrays. The method leverages the simulated bifurcation (SB) algorithm to address the complex…
With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…
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…
We present the Quantum Paldus Transform: an efficient quantum algorithm for block-diagonalising fermionic, spin-free Hamiltonians in the second quantisation. Our algorithm implements an isometry between the occupation number basis of a…
Factorization of quantum mechanical Hamiltonians has been a useful technique for some time. This procedure has been given an elegant description by supersymmetric quantum mechanics, and the subject has become well-developed. We demonstrate…
In the existing literature various numerical techniques have been developed to quantize the confined harmonic oscillator in higher dimensions. In obtaining the energy eigenvalues, such methods often involve indirect approaches such as…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
Fault tolerant quantum simulation via the phase estimation algorithm and qubitization has a T-gate count that scales proportionally to the 1-norm of the Hamiltonian, the cost of block encoding the Hamiltonian, and inversely proportionally…
Accurately solving the Schr\"odinger equation remains a central challenge in computational physics, chemistry, and materials science. Here, we propose an alternative eigenvalue problem based on a system's autocorrelation function, avoiding…
Fine-grained spectral properties of quantum Hamiltonians, including both eigenvalues and their multiplicities, provide useful information for characterizing many-body quantum systems as well as for understanding phenomena such as…
We introduce Scale Factorized-Quantum Field Theory (SF-QFT), a framework performing path-integral factorization of ultraviolet and infrared momentum modes at a physical scale $Q^*$ before perturbative expansion through Effective Dynamical…
Recent work has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian $H$ for a given simulation problem into subsets $A$ and $B$ such that $H=A+B$, where the terms in $A$ are simulated with a…
Quantum control protocols are typically devised in the time domain, leaving their spectral behavior to emerge only a posteriori. Here, we invert this paradigm. Starting from a target frequency-domain filter, we employ the…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…
We apply the method of flow equations to describe quantum systems subject to a time-periodic drive with a time-dependent envelope. The driven Hamiltonian is expressed in terms of its constituent Fourier harmonics with amplitudes that may…
We present a fault-tolerant quantum algorithm for implementing the Discrete Variable Representation (DVR) transformation, a technique widely used in simulations of quantum-mechanical Hamiltonians. DVR provides a diagonal representation of…
We introduce and discuss a hybrid quantum-mechanics molecular-mechanics (QM-MM) approach for Car-Parrinello DFT simulations with pseudopotentials and planewaves basis, designed for the treatment of periodic systems. In this implementation…