Related papers: On the Schr\"odingerization method for linear non-…
Solving the time-dependent Schr\"odinger equation is an important application area for quantum algorithms. We consider Schr\"odinger's equation in the semi-classical regime. Here the solutions exhibit strong multiple-scale behavior due to a…
In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. It is important to predict when a bound state transitions into a resonance and how these transitions depend on…
We consider the one-dimensional nonlinear Schr\"odinger equation $$ iu_t + u_{xx} + \mathcal{N}(u)u=0, \quad x,t \in \mathbb R, $$ with the nonlinearity term that is expressed as a sum of powers, possibly infinite: $$ \mathcal{N}(u) = \sum…
The nonlinear dynamics of a system with periodic structure can be analyzed using a square matrix. We show that because the special property of the square matrix constructed for nonlinear dynamics, we can reduce the dimension of the matrix…
This paper is dedicated to the efficient numerical computation of solutions to the 1D stationary Schr\"odinger equation in the highly oscillatory regime. We compute an approximate solution based on the well-known WKB-ansatz, which relies on…
We consider the Schr\"odinger bridge problem which, given ensemble measurements of the initial and final configurations of a stochastic dynamical system and some prior knowledge on the dynamics, aims to reconstruct the "most likely"…
A parareal algorithm based on an exponential $\theta$-scheme is proposed for the stochastic Schr\"odinger equation with weak damping and additive noise. It proceeds as a two-level temporal parallelizable integrator with the exponential…
This paper explores the explicit design of quantum circuits for quantum simulation of partial differential equations (PDEs) with physical boundary conditions. These equations and/or their discretized forms usually do not evolve via unitary…
The goal of this paper is to provide an analysis of the "toolkit" method used in the numerical approximation of the time-dependent Schr\"odinger equation. The "toolkit" method is based on precomputation of elementary propagators and was…
In this paper, we apply the Schwarz Waveform Relaxation (SWR) method to the one dimensional Schr{\"o}dinger equation with a general linear or a nonlinear potential. We propose a new algorithm for the Schr{\"o}dinger equation with time…
We propose a simple technique that, if combined with algorithms for computing functions of triangular matrices, can make them more efficient. Basically, such a technique consists in a specific scaling similarity transformation that reduces…
Based on recent ideas, stemming from the use of bubbles, we discuss an algorithm for the numerical simulation of the cubic nonlinear Schr{\"o}dinger equation with harmonic potential in any dimension, which could be easily extended to other…
We explore the applicability of splitting methods involving complex coefficients to solve numerically the time-dependent Schr\"odinger equation. We prove that a particular class of integrators are conjugate to unitary methods for…
In this paper, we integrate neural networks and Gaussian wave packets to numerically solve the Schr\"odinger equation with a smooth potential near the semi-classical limit. Our focus is not only on accurately obtaining solutions when the…
A nonperturbative procedure of solving the time-dependent Schr\"odinger equation, called the multi-projection approach or phase dynamics of quantum mechanics, is derived and illustrated. In addition to introducing a method with that…
We study the initial-boundary value problem for the derivative nonlinear Schr\"odinger (DNLS) equation. More precisely we study the wellposedness theory and the regularity properties of the DNLS equation on the half line. We prove almost…
We consider the linear and non linear cubic Schr\"odinger equations with periodic boundary conditions, and their approximations by splitting methods. We prove that for a dense set of arbitrary small time steps, there exists numerical…
We elaborate on a new methodology, which starting with an integrable evolution equation in one spatial dimension, constructs an integrable forced version of this equation. The forcing consists of terms involving quadratic products of…
In this paper we propose fast solution methods for the Cauchy problem for the multidimensional Schr\"odinger equation. Our approach is based on the approximation of the data by the basis functions introduced in the theory of approximate…
We describe a parallel algorithm for solving the time-independent 3d Schrodinger equation using the finite difference time domain (FDTD) method. We introduce an optimized parallelization scheme that reduces communication overhead between…