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The Poisson-Boltzmann model is an effective and popular approach for modeling solvated biomolecules in continuum solvent with dissolved electrolytes. In this paper, we report our recent work in developing a Galerkin boundary integral method…
Many physical, biological, and economical systems exhibit various memory effects due to which their present state depends on the history of the whole evolution. Combined with the nonlinearity of the process these phenomena pose serious…
We introduce the correlation-efficient time-evolution (CETE) algorithm for simulating quantum many-body dynamics. CETE recasts each step of time evolution as a time-independent correlation problem: the ansatz begins from a mean-field single…
Dynamical mean field theory (DMFT) is a tool that allows to analyze the stochastic dynamics of $N$ interacting degrees of freedom in terms of a self-consistent $1$-body problem. In this work, focusing on models of ecosystems, we present the…
We introduce a numerical strategy to efficiently solve the out-of-equilibrium Dyson equation in the transient regime. By discretizing the equation into a compact matrix form and applying state-of-the-art matrix compression techniques, we…
FFT-based solvers are increasingly used by many researcher groups interested in modelling the mechanical behavior associated to a heterogeneous microstructure. A development is reported here that concerns the viscoelastic behavior of…
Within the non-equilibrium Green's function technique on the real time contour, the Phi-functional method of Baym is reviewed and generalized to arbitrary non-equilibrium many-particle systems. The scheme may be closed at any desired order…
Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical…
We develop a mapping of quantum steady-state nonequilibrium to an effective equilibrium and solve the problem using a quantum simulation technique. A systematic implementation of the nonequilibrium boundary condition in steady-state is made…
An ab-initio method for determining the dynamical structure function of an interacting many--body quantum system has been devised by combining a generalized integral transform method with Quantum Monte Carlo methods. As a first application,…
A semi-implicit finite difference time domain (FDTD) numerical Maxwell solver is developed for full electromagnetic Particle-in-Cell (PIC) codes for the simulations of plasma-based acceleration. The solver projects the volumetric Yee…
The Faddeev equation for three-body scattering at arbitrary energies is formulated in momentum space and directly solved in terms of momentum vectors without employing a partial wave decomposition. In its simplest form the Faddeev equation…
In this paper, we develop a numerical scheme for the space-time fractional parabolic equation, i.e., an equation involving a fractional time derivative and a fractional spatial operator. Both the initial value problem and the…
We propose a quantum-classical hybrid algorithm to simulate the non-equilibrium steady state of an open quantum many-body system, named the dissipative-system Variational Quantum Eigensolver (dVQE). To employ the variational optimization…
We study a numerical approximation for a nonlinear variable-order fractional differential equation via an integral equation method. Due to the lack of the monotonicity of the discretization coefficients of the variable-order fractional…
This paper provide a comprehensive analysis of the finite and long time behavior of continuous-time non-Markovian dynamical systems, with a focus on the forward Stochastic Volterra Integral Equations(SVIEs).We investigate the properties of…
We develop a data-driven framework for identifying non-Markovian dynamical equations of motion for open quantum systems. Starting from the Nakajima--Zwanzig formalism, we vectorize the reduced density matrix into a four-dimensional state…
A time domain electric field volume integral equation (TD-EFVIE) solver is proposed for analyzing electromagnetic scattering from dielectric objects with Kerr nonlinearity. The nonlinear constitutive relation that relates electric flux and…
The paper considers the integral Volterra equations of the first kind which are related to the inverse boundary-value heat conduction problem. The algorithms have been developed to numerically solve the respective integral equations, which…
The scattering and bound states of the many-body systems, related to the short-range Dyson model, are studied. First, we show that the scattering states can be realized as coherent states and the scattering Hamiltonian can be connected to a…