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Quantum Error Correction (QEC), combined with magic state distillation, ensures fault tolerance in large-scale quantum computation. To apply QEC, a circuit must first be transformed into a non-Clifford (or T) gate set. T-depth, the number…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
Quantum neuromorphic computing (QNC) is a sub-field of quantum machine learning (QML) that capitalizes on inherent system dynamics. As a result, QNC can run on contemporary, noisy quantum hardware and is poised to realize challenging…
In this paper we present a method to treat interface jump conditions for constant coefficients Poisson problems that allows the use of standard "black box" solvers, without compromising accuracy. The basic idea of the new approach is…
An alternative methodology to evaluate two-electron-repulsion integrals based on numerical approximation is proposed. Computational chemistry has branched into two major fields with methodologies based on quantum mechanics and classical…
We present a numerical study on the super-resolution of quantum phase sensing and ghost imaging systems operating with multimode N00N states beyond the Rayleigh diffraction limit. Our computational simulations are based on the canonical…
We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the…
We present a unified quantum-classical framework for addressing NP-complete constrained combinatorial optimization problems, generalizing the recently proposed Quantum Conic Programming (QCP) approach. Accordingly, it inherits many…
We consider a typical realization of a qubit as a single particle in two-path interferometric circuits built from phase shifters, beam splitters and detectors. This framework is often taken as a standard example illustrating various…
The quintessence dark energy potential is reconstructed in a model-independent way. Reconstruction relies on a Gaussian process and on available expansion-rate data. Specifically, 40-point values of $H(z)$ are used, consisting of a 30-point…
We explore the possibilities of applying structure-preserving numerical methods to a plasma hybrid model with kinetic ions and mass-less fluid electrons satisfying the quasi-neutrality relation. The numerical schemes are derived by finite…
Unfitted boundary methods are widely used to numerically solve partial differential equations (PDEs) on irregular domains, avoiding the computational burden of generating boundary-conforming grids. In the finite-difference framework,…
Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…
Stochastic electronic structure theories, e.g., Quantum Monte Carlo methods, enable highly accurate total energy calculations which in principle can be used to construct highly accurate potential energy surfaces. However, their stochastic…
We introduce two methods for quantum process and detector tomography. In the quantum process tomography method, we develop an analytical procedure for projecting the linear inversion estimation of a quantum channel onto the set of…
Nonlinear model predictive control~(NMPC) generally requires the solution of a non-convex optimization problem at each sampling instant under strict timing constraints, based on a set of differential equations that can often be stiff and/or…
We have constructed a complete quantum theory for an optical process of excitons with nonlocal susceptibility originating from their center-of-mass motion. This theory provides a practical calculation method for arbitrary-structured…
We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction…
We compare several quantum phase estimation (QPE) protocols intended for early fault-tolerant quantum computers (EFTQCs) in the context of models of their implementations on a surface code architecture. We estimate the logical and physical…
Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localised orbitals in real-space, rather than the delocalised eigenstates of conventional approaches. In local-orbital methods, relative to…