Related papers: A variational approach to approximate particle num…
The numerical simulation of incompressible flows is challenging due to the tight coupling of velocity and pressure. Projection methods offer an effective solution by decoupling these variables, making them suitable for large-scale…
This contribution provides numerical experiments for a finite volume scheme for an approximation of the stochastic Allen-Cahn equation with homogeneous Neumann boundary conditions. The approximation is done by a Yosida approximation of the…
We present and benchmark quantum computing approaches for calculating real-time single-particle Green's functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for…
This paper constructs a predictor-corrector technique with orthogonal spline collocation finite element method for simulating a FitzHugh-Nagumo system subject to suitable initial and boundary conditions. The developed computational…
A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei…
Inspired by so-called TVD limiter-based second-order schemes for hyperbolic conservation laws, we develop a second-order accurate numerical method for multi-dimensional aggregation equations. The method allows for simulations to be…
The theory of viscosity solutions has been effective for representing and approximating weak solutions to fully nonlinear Partial Differential Equations (PDEs) such as the elliptic Monge-Amp\`ere equation. The approximation theory of…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
Physics-informed neural networks (PINNs) are extensively employed to solve partial differential equations (PDEs) by ensuring that the outputs and gradients of deep learning models adhere to the governing equations. However, constrained by…
We propose two different schemes for second-order perturbation theory with spin-projected Hartree-Fock. Both schemes employ the same ansatz for the first-order wave function, which is a linear combination of spin-projected configurations.…
Second-order self-force computations, which will be essential in modeling extreme-mass-ratio inspirals, involve two major new difficulties that were not present at first order. One is the problem of large scales, discussed in [Phys. Rev. D…
Renormalization group procedure for effective particles (RGPEP) is applied in terms of a second-order perturbative computation to an Abelian gauge theory, as an example of application worth studying on the way toward derivation of a…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
In this study, we examine numerical approximations for 2nd-order linear-nonlinear differential equations with diverse boundary conditions, followed by the residual corrections of the first approximations. We first obtain numerical results…
We analyze a second-order projection method for the incompressible Navier-Stokes equations on bounded Lipschitz domains. The scheme employs a Backward Differentiation Formula of order two (BDF2) for the time discretization, combined with…
Higher-order tree-level processes in strong laser fields, i.e. cascades, are in general extremely difficult to calculate, but in some regimes the dominant contribution comes from a sequence of first-order processes, i.e. nonlinear Compton…
(abridged) We present results of test-particle simulations on both the first and the second order Fermi acceleration at relativistic parallel shock waves. We consider two scenarios for particle injection: (i) particles injected at the shock…
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…
We introduce a new class of singular partial differential equations, referred to as the second-order hyperbolic Fuchsian systems, and we investigate the associated initial value problem when data are imposed on the singularity. First, we…
We give a priori error estimates of second order in time fully explicit Runge-Kutta discontinuous Galerkin schemes using upwind fluxes to smooth solutions of scalar fractional conservation laws in one space dimension. Under the time step…