Related papers: Sample-based quantum diagonalization as parallel f…
We present OBDF-SQD, a hybrid quantum-classical method that combines one-body downfolding~(OBDF) based on one-body M\o{}ller--Plesset second-order perturbation theory (OBMP2) with sample-based quantum diagonalization~(SQD) for use in…
Recently, sample-based quantum diagonalization (SQD) has emerged as a promising approach to compute ground and excited states of problem Hamiltonians.This method classically diagonalizes a Hamiltonian in a subspace that is spanned by…
The semiclassical Schr\"odinger equation with time-dependent potentials is an important model to study electron dynamics under external controls in the mean-field picture. In this paper, we propose two multiscale finite element methods to…
We apply the recently proposed Sample-based Krylov Quantum Diagonalization (SKQD) method to lattice gauge theories, using the Schwinger model with a $\theta$-term as a benchmark. SKQD approximates the ground state of a Hamiltonian,…
Subspace diagonalization techniques based on quantum sampling, such as quantum selected configuration interaction (QSCI) and sample-based quantum diagonalization (SQD), have recently emerged as promising quantum-centric approaches for…
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…
Quantum spin simulations of frustrated lattices remain challenging for both classical and quantum algorithms, particularly in parameter regimes relevant to quantum spin liquid (QSL) phases. In this work, we apply Sample-based Krylov Quantum…
Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…
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…
Accurately segmenting structural cracks at the pixel level remains a major hurdle, as existing methods fail to integrate local textures with pixel dependencies, often leading to fragmented and incomplete predictions. Moreover, their high…
Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…
We show that it is possible to obtain numerical solutions to quantum mechanical problems involving a fractional Laplacian, using a collocation approach based on Little Sinc Functions (LSF), which discretizes the Schr\"odinger equation on a…
We present a symmetry-adapted extension of sample-based quantum diagonalization (SQD) that rigorously embeds space-group symmetry into the many-body subspace sampled by quantum hardware. The method is benchmarked on the two-leg ladder…
The accurate calculation of electronic potential energy surfaces for ground and excited states is crucial for understanding photochemical processes, particularly near conical intersections. While classical methods are limited by scaling and…
The simulation of molecular electronic structure is an important application of quantum devices. Recently, it has been shown that quantum devices can be effectively combined with classical supercomputing centers in the context of the…
A space-time collocation method (STCM) using asymptotically-constant basis functions is proposed and applied to the quantum Hamiltonian constraint for a loop-quantized treatment of the Schwarzschild interior. Canonically, these descriptions…
We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term…
We develop a quantum algorithm for solving high-dimensional fractional Poisson equations. By applying the Caffarelli-Silvestre extension, the $d$-dimensional fractional equation is reformulated as a local partial differential equation in…