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To integrate large systems of nonlinear differential equations in time, we consider a variant of nonlinear waveform relaxation (also known as dynamic iteration or Picard-Lindel\"of iteration), where at each iteration a linear inhomogeneous…
The objective of this work is the introduction and investigation of favourable time integration methods for the Gross--Pitaevskii equation with rotation term. Employing a reformulation in rotating Lagrangian coordinates, the equation takes…
This paper introduces a novel method for approximating the dynamics of a large autonomous system projected onto a fixed subspace. The core contribution is a novel recursive algorithm to construct an effective time-dependent generator that…
We apply a computationally efficient approach to study the time- and energy-resolved spectral properties of a two-site Hubbard model using the nonequilibrium Green's function formalism. By employing the iterative generalized Kadanoff-Baym…
The Wigner function is a useful tool for exploring the transition between quantum and classical dynamics, as well as the behavior of quantum chaotic systems. Evolving the Wigner function for open systems has proved challenging however; a…
The study of wave propagation and scattering in time-dependent materials is a rapidly growing field of research. Whereas for 1D applications there is a simple relation between the wave equations for space-dependent and time-dependent…
In this work a general approach to compute a compressed representation of the exponential $\exp(h)$ of a high-dimensional function $h$ is presented. Such exponential functions play an important role in several problems in Uncertainty…
We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials. The method is named shifted Conjugate Orthogonal Conjugate…
Boundary integral methods are attractive for solving homogeneous linear constant coefficient elliptic partial differential equations on complex geometries, since they can offer accurate solutions with a computational cost that is linear or…
We consider a divergence-form elliptic difference operator on the lattice $\mathbb{Z}^d$, with a coefficient matrix that is an i.i.d. perturbation of the identity matrix. Recently, Bourgain introduced novel techniques from harmonic analysis…
The paper presents the solutions for the zonal electrophoresis equations are obtained by analytical and numerical methods. The method proposed by the authors is used. This method allows to reduce the Cauchy problem for two hyperbolic…
The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn--Sham equations. Popular time propagation methods used in physics, as well as other robust numerical approaches,…
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods…
We suggest to employ the dissipative nature of open quantum systems for the purpose of parameter estimation: The dynamics of open quantum systems is typically described by a quantum dynamical semigroup generator ${\cal L}$. The eigenvalues…
We used methods of Bayesian statistical inference and the principle of maximum entropy to analytically continue imaginary-time Green's function generated in quantum Monte Carlo simulations to obtain the real-time Green's functions. For test…
A numerical explicit method to evaluates transient solutions of linear partial differential inhomogeneous equation with constant coefficients is proposed. A general form of the scheme for a specific linear inhomogeneous equation is shown.…
With the technical progress of radio-frequency setups, high frequency quantum transport experiments have moved from theory to the lab. So far the standard theoretical approach used to treat such problems numerically--known as Keldysh or…
We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a deformed crystal back to geometrically undeformed structure…
The accurate description and robust computational modeling of the nonequilibrium properties of quantum systems remain a challenge in condensed matter physics. In this work, we develop a linear-scale computational simulation technique for…
In this work we present a numerical method to solve the set of Dyson-like equations arising the context of non-equilibrium Green's functions. The technique is based on the self-consistent solution of the Dyson equations for the interacting…