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This paper explores how to adapt a new dynamical core to enable its use in one-way nested regional weather and climate models, where lateral boundary conditions (LBCs) are provided by a lower-resolution driving model. The dynamical core has…
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to…
In this paper, we consider the numerical approximation for a diffuse interface model of the two-phase incompressible inductionless magnetohydrodynamics problem. This model consists of Cahn-Hilliard equations, Navier-Stokes equations and…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
We present a finite difference method to solve a new type of nonlocal hydrodynamic equations that arise in the theory of spatially inhomogeneous Bloch oscillations in semiconductor superlattices. The hydrodynamic equations describe the…
Many problems in electrical engineering or fluid mechanics can be modeled by parabolic-elliptic interface problems, where the domain for the exterior elliptic problem might be unbounded. A possibility to solve this class of problems…
Exciton-phonon dynamics on a 1D lattice with long-range exciton-exciton interaction have been introduced and elaborated. Long-range interaction leads to a nonlocal integral term in the motion equation of the exciton subsystem if we go from…
In this paper, high order semi-implicit well-balanced and asymptotic preserving finite difference WENO schemes are proposed for the shallow water equations with a non-flat bottom topography. We consider the Froude number ranging from O(1)…
The oversampling multiscale finite element method (MsFEM) is one of the most popular methods for simulating composite materials and flows in porous media which may have many scales. But the method may be inapplicable or inefficient in some…
We study the Holstein model of spinless fermions, which at half-filling exhibits a quantum phase transition from a metallic Tomonaga-Luttinger liquid phase to an insulating charge-density-wave (CDW) phase at a critical electron-phonon…
A recent experiment by Shimizu et al. has provided evidence of a superconducting phase in hcp Fe under pressure. To study the pressure-dependence of this superconducting phase we have calculated the phonon frequencies and the…
The Landau--Lifshitz--Baryakhtar (LLBar) and the Landau--Lifshitz--Bloch (LLBloch) equations are nonlinear vector-valued PDEs which arise in the theory of micromagnetics to describe the dynamics of magnetic spin field in a ferromagnet at…
Phonon measurements in the A15-type superconductors were complicated in the past because of the unavailability of large single crystals for inelastic neutron scattering, e.g., in the case of Nb$_3$Sn, or unfavorable neutron scattering…
In this paper, we analyze the preservation of asymptotic properties of partially dissipative hyperbolic systems when switching to a discrete setting. We prove that one of the simplest consistent and unconditionally stable numerical methods…
We consider a model problem of the scattering of linear acoustic waves in free homogeneous space by an elastic solid. The stress tensor in the solid combines the effect of a linear dependence of strains with the influence of an existing…
We show that the electron-phonon coupling (EPC) in many materials can be significantly underestimated by the standard density functional theory (DFT) in the local density approximation (LDA) due to large non-local correlation effects. We…
The Landau-Lifshitz equation describes the dynamics of the magnetization inside ferromagnetic materials. This equation is highly nonlinear and has a non-convex constraint (the magnitude of the magnetization is constant) which pose…
Within this paper, we introduce partially and fully decoupled time stepping schemes for linear thermo-poroelasticity. This means that the mechanics, heat, and flow equations can be solved sequentially. We provide sufficient conditions on…
The non-equilibrium dynamics of electrons is of a great experimental and theoretical value providing important microscopic parameters of the Coulomb and electron-phonon interactions in metals and other cold plasmas. Because of the…
We study the hybrid excitations due to the coupling between surface optical phonons of a polar insulator substrate and plasmons in the valley-spin-polarized metal phase of silicene under an exchange field. We perform the calculations within…