Related papers: A Parallel Algorithm for Solving the 3d Schrodinge…
We present a parallel algorithm for the fast Fourier transform (FFT) in higher dimensions. This algorithm generalizes the cyclic-to-cyclic one-dimensional parallel algorithm to a cyclic-to-cyclic multidimensional parallel algorithm while…
Time-parallel algorithms seek greater concurrency by decomposing the temporal domain of a Partial Differential Equation (PDE), providing possibilities for accelerating the computation of its solution. While parallelisation in time has…
The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…
This work aims to construct an efficient and highly accurate numerical method to address the time singularity at $t=0$ involved in a class of time-fractional parabolic integro-partial differential equations in one and two dimensions. The…
In this paper, a linearized semi-implicit finite difference scheme is proposed for solving the two-dimensional (2D) space fractional nonlinear Schr\"{o}dinger equation (SFNSE).The scheme has the property of mass and energy conservation on…
In this paper we present a novel multiscale splitting approach to solve multiscale Schroedinger equation, which have large different time-scales. The energy potential is based on highly oscillating functions, which are magnitudes faster…
A numerical method for solving Schrodinger's equation based upon a Baker-Campbell-Hausdorff (BCH) expansion of the time evolution operator is presented herein. The technique manifestly preserves wavefunction norm, and it can be applied to…
A provably stable summation-by-parts simultaneous approximation term (SBP-SAT) finite-difference time-domain (FDTD) subgridding method without region split is proposed. By designing projection SBP operators tailored for embedded topological…
In this paper we present a methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same left-hand-side (LHS) matrix. The intended application is to the numerical solution of Partial…
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…
In this paper, we propose a hybrid parallel programming approach for a numerical solution of a two-dimensional acoustic wave equation using an implicit difference scheme for a single computer. The calculations are carried out in an implicit…
Fractional differential equations (FDEs) are an extension of the theory of fractional calculus. However, due to the difficulty in finding analytical solutions, there have not been extensive applications of FDEs until recent decades. With…
Finite-difference time-domain (FDTD) simulations often involve physical quantities spanning multiple orders of magnitude, such as the speed of light or electromagnetic field amplitudes. The standard practice for maintaining numerical…
We develop a quantum algorithm for linear algebraic equations $ A\bb{x} = \bb{b} $ from the perspective of Schr\"odingerization-form problems, which are characterized by a system of linear convection equations in one higher dimension. When…
A recently developed three-dimensional formalism for the nucleon-deuteron breakup channel initially considered only the leading-order term of the Faddeev equations, using the nucleon-nucleon T-matrix to compute the breakup amplitude. In the…
To achieve efficient and accurate long-time integration, we propose a fast, accurate, and stable high-order numerical method for solving fractional-in-space reaction-diffusion equations. The proposed method is explicit in nature and…
The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field perturbation has been recently developed and implemented…
In this work, we propose efficient and accurate numerical algorithms based on Difference Potentials Method for numerical solution of chemotaxis systems and related models in 3D. The developed algorithms handle 3D irregular geometry with the…
We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…
The numerical solution of a linear Schr\"odinger equation in the semiclassical regime is very well understood in a torus $\mathbb{T}^d$. A raft of modern computational methods are precise and affordable, while conserving energy and…