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Many problems in science and engineering require an efficient numerical approximation of integrals or solutions to differential equations. For systems with rapidly changing dynamics, an equidistant discretization is often inadvisable as it…
A wide range of implicit time integration methods, including multi-step, implicit Runge-Kutta, and Galerkin finite-time element schemes, is evaluated in the context of chaotic dynamical systems. The schemes are applied to solve the Lorenz…
In quantum computing, the efficient optimization of Pauli string decompositions is a crucial aspect for the compilation of quantum circuits for many applications, such as chemistry simulations and quantum machine learning. In this paper, we…
A method for time-reversible numerical integration of the deterministic Landau-Lifshitz Gilbert equation by means of a second order Suzuki-Trotter decomposition is presented and tested against commonly used second order predictor-corrector…
Quantum computers can efficiently simulate many-body systems. As a widely used Hamiltonian simulation tool, the Trotter-Suzuki scheme splits the evolution into the number of Trotter steps $N$ and approximates the evolution of each step by a…
The Trotter-Suzuki approximation leads to an efficient algorithm for solving the time-dependent Schr\"odinger equation. Using existing highly optimized CPU and GPU kernels, we developed a distributed version of the algorithm that runs…
Simulating quantum dynamics beyond the reach of classical computers is one of the main envisioned applications of quantum computers. The most promising quantum algorithms to this end in the near-term are the simplest, which use the Trotter…
Suzuki-Trotter decomposition is a well-known technique used to calculate the partition function of quantum spin systems, in which the imaginary-time dependence of the partition function occurs inevitably. Since it is very difficult to…
The manuscript presents a new technique for computing the exponential of skew-Hermitian operators. Principal advantages of the proposed method include: stability even for large time-steps, the possibility to parallelize in time over many…
Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…
Among the family of fourth-order time integration schemes, the two-stage Gauss--Legendre method, which is an implicit Runge--Kutta method based on collocation, is the only superconvergent. The computational cost of this implicit scheme for…
Classical and new numerical schemes are generated using evolutionary computing. Differential Evolution is used to find the coefficients of finite difference approximations of function derivatives, and of single and multi-step integration…
This paper investigates the performance of a subclass of exponential integrators, specifically explicit exponential Runge--Kutta methods. It is well known that third-order methods can suffer from order reduction when applied to linearized…
Computer simulations in QCD are based on the discretization of the theory on a Euclidean lattice. To compute the mean value of an observable, usually the Hybrid Monte Carlo method is applied. Here equations of motion, derived from an…
We explore the construction of new symplectic numerical integration schemes to be used in Hamiltonian Monte Carlo and study their efficiency. Two integration schemes from Blanes et al. (2014), and a new scheme based on optimal acceptance…
Suzuki-Trotter decompositions of exponential operators like $\exp(Ht)$ are required in almost every branch of numerical physics. Often the exponent under consideration has to be split into more than two operators, for instance as local…
The study of real-time evolution of lattice quantum field theories using classical computers is known to scale exponentially with the number of lattice sites. Due to a fundamentally different computational strategy, quantum computers hold…
We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…
Simulating time evolution of generic quantum many-body systems using classical numerical approaches has an exponentially growing cost either with evolution time or with the system size. In this work, we present a polynomially scaling hybrid…
In approximating solutions of nonstationary problems, various approaches are used to compute the solution at a new time level from a number of simpler (sub-)problems. Among these approaches are splitting methods. Standard splitting schemes…