相关论文: Improved Gaussian self-consistent method - Applica…
In this paper we are concerned with the analysis of a class of geometric integrators, at first devised in [14, 18], which can be regarded as an energy-conserving variant of Gauss collocation methods. With these latter they share the…
A variety of self-consistent (SC) equations have been proposed for non-uniform states of liquid particles under external fields, including adsorbed states at solid substrates and confined states in pores. External fields represent not only…
We report on a novel approach to the Deam-Edwards model for interacting polymeric networks without using replicas. Our approach utilizes the fact that a network modelled from a single non-interacting Gaussian chain of macroscopic size can…
This paper generalizes the earlier work on the energy-based discontinuous Galerkin method for second-order wave equations to fourth-order semilinear wave equations. We first rewrite the problem into a system with a second-order spatial…
A new energy-consistent discretization of the viscous dissipation function in incompressible flows is proposed. It is implied by choosing a discretization of the diffusive terms and a discretization of the local kinetic energy equation and…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
Gaussian graphical model selection is usually studied under independent sampling, but in many applications observations arise from dependent dynamics. We study structure learning when the data consist of a single trajectory of Gaussian…
The mean square displacement per collision of a molecule immersed in a gas at equilibrium is given by its mean square displacement between two consecutive collisions (mean square free path) corrected by a prefactor in the form of a series.…
We present a method for sampling microscopic configurations of a physical system distributed according to a canonical (Boltzmann-Gibbs) measure, with a constraint holding in average. Assuming that the constraint can be controlled by the…
The lack of a well-established solution for the gravitational energy problem might be one of the reasons why a clear road to quantum gravity does not exist. In this paper, the gravitational energy is studied in detail with the help of the…
We show how to construct an effective Hamiltonian whose dimension scales linearly with system size, and whose eigenvalues systematically approximate the excitation energies of GW theory. This is achieved by rigorously expanding the…
GW calculations with fully self-consistent G and W -- based on the iterative solution of the Dyson equation -- provide an approach for consistently describing ground and excited states on the same quantum mechanical level. We show that for…
We calculate the short time and the long time diffusion coefficient of a spherical tracer particle in a polymer solution in the low density limit by solving the Smoluchowski equation for a two-particle system and applying a generalized…
Bose-Einstein condensates with an attractive 1/r interaction and with dipole-dipole interaction are investigated in the framework of the Gaussian variational ansatz introduced by S. Rau, J. Main, and G. Wunner [Phys. Rev. A, submitted]. We…
Two-body interactions play a major role in shaping the structural and dynamical properties of globular clusters (GCs) over their long-term evolution. In particular, GCs evolve toward a state of partial energy equipartition that induces a…
In this paper, existence of generalized solutions to a thermodynamically consistent Navier--Stokes--Cahn--Hilliard model introduced in [18] is proven in any space dimension. The generalized solvability concepts are measure-valued and…
The integral equation coarse-graining (IECG) approach is a promising high-level coarse-graining (CG) method for polymer melts, with variable resolution from soft spheres to multi CG sites, which preserves the structural and thermodynamical…
In this paper we propose a novel arbitrary high order accurate semi-implicit space-time discontinuous Galerkin method for the solution of the two dimensional incompressible Navier-Stokes equations on staggered unstructured triangular…
High-order methods are well-suited for the numerical simulation of complex compressible turbulent flows, but require additional stabilization techniques to capture instabilities arising from the underlying non-linear hyperbolic equations.…
We critically discuss and review the general ideas behind single- and multi-site coarse-grained (CG) models as applied to macromolecular solutions in the dilute and semi-dilute regime. We first consider single-site models with zero-density…