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Two quadrature-based algorithms for computing the matrix fractional power $A^\alpha$ are presented in this paper. These algorithms are based on the double exponential (DE) formula, which is well-known for its effectiveness in computing…
With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schr\"odinger equation is of keen interest in modern electronic structure…
This work presents an analytical and computational study of fractional-order delay differential equations formulated using both the conformable and Caputo derivatives. For the conformable case, we develop the associated integral,…
The shift in chemical equilibria due to isotope substitution is often exploited to gain insight into a wide variety of chemical and physical processes. It is a purely quantum mechanical effect, which can be computed exactly using…
The calculation of physical quantities by lattice QCD simulations requires in some important cases the determination of the inverse of a very large matrix. In this article we describe how stochastic estimator methods can be applied to this…
The double exponential formula was introduced for calculating definite integrals with singular point oscillation functions and Fourier-integrals. The double exponential transformation is not only useful for numerical computations but it is…
Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators.…
We present a combination of tools which allows for investigation of the coupled orbital and rotational dynamics of two rigid bodies with nearly arbitrary shape and mass distribution, under the influence of their mutual gravitational…
We define formally decohered quantum computers (using density matrices), and present a simulation of them by a probabalistic classical Turing Machine. We study the slowdown of the simulation for two cases: (1) sequential quantum computers,…
We propose a quantum machine learning algorithm for efficiently solving a class of problems encoded in quantum controlled unitary operations. The central physical mechanism of the protocol is the iteration of a quantum time-delayed equation…
Quantum effects like entanglement and coherent amplification can be used to drastically enhance the accuracy of quantum parameter estimation beyond classical limits. However, challenges such as decoherence and time-dependent errors hinder…
With the current rate of progress in quantum computing technologies, systems with more than 50 qubits will soon become reality. Computing ideal quantum state amplitudes for circuits of such and larger sizes is a fundamental step to assess…
We study the dynamics of a damped harmonic oscillator in the presence of a retarded potential with state-dependent time-delayed feedback. In the limit of small time-delays, we show that the oscillator is equivalent to a Li\'enard system.…
The time integration of semilinear parabolic problems by exponential methods of different kinds is considered. A new algorithm for the implementation of these methods is proposed. The algorithm evaluates the operators required by the…
We have developed a numerical approach to compute real-time path integral expressions for quantum transport problems out of equilibrium. The scheme is based on a deterministic iterative summation of the path integral (ISPI) for the…
In recent years simulations of chemistry and condensed materials has emerged as one of the preeminent applications of quantum computing, offering an exponential speedup for the solution of the electronic structure for certain strongly…
Iterative Refinement (IR) is a classical computing technique for obtaining highly precise solutions to linear systems of equations, as well as linear optimization problems. In this paper, motivated by the limited precision of quantum…
The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…
With the advent of ultra-high power lasers the nonlinear nature of the vacuum of quantum electrodynamics (QED) can be probed. Due to the highly nonlinear structure of the underlying equations new numerical algorithms are required. A…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…