Related papers: Analysis of Blended Atomistic/Continuum Hybrid Met…
By the analytical coupled cluster method (CCM), we study both the ground state and lowest-lying excited-state properties of the alternating bond diamond chain. The numerical exact diagonalization (ED) method is also applied to the chain to…
We present the complete phase diagram for one-dimensional binary mixtures of bosonic ultracold atomic gases in a harmonic trap. We obtain exact results with direct numerical diagonalization for small number of atoms, which permits us to…
We focus here on the thermodynamic properties of adsorbates formed by two-species $A+B \to \oslash$ reactions on a one-dimensional infinite lattice with heterogeneous "catalytic" properties. In our model hard-core $A$ and $B$ particles…
We simulate the central reactions of nearly symmetric, and asymmetric systems, for the energies at which the maximum production of IMFs occurs (E$_{c.m.}^{peak}$).This study is carried out by using hard EOS along with cugnon cross section…
The nonclassical behaviors of a two-level system coupled to a harmonic oscillator is investigated in the ultrastrong coupling regime. We revisit the variational solution of the ground state and find that the existing solution do not account…
We study mixed finite element methods for the linearized rotating shallow water equations with linear drag and forcing terms. By means of a strong energy estimate for an equivalent second-order formulation for the linearized momentum, we…
We give an analysis of a continuation algorithm for the numerical solution of the force-based quasicontinuum equations. The approximate solution of the force-based quasicontinuum equations is computed by an iterative method using an…
We calculate the exchange coupling for a double dot system using a novel, numerically exact yet efficient technique, based on finite-element methods. Specifically, we evaluate the exchange coupling both for a quasi-one and a two-dimensional…
We study all known and as yet unknown forces between two neutral atoms, modeled as three dimensional harmonic oscillators, arising from mutual influences mediated by an electromagnetic field but not from their direct interactions. We allow…
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…
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been successfully used, for example, to realistically model the…
Although self-consistent multi-configuration methods have been used for decades to address the description of atomic and molecular many-body systems, only a few trials have been made in the context of nuclear structure. This work aims at…
We study mixed finite element methods for the rotating shallow water equations with linearized momentum terms but nonlinear drag. By means of an equivalent second-order formulation, we prove long-time stability of the system without energy…
Recent experiments indicate that electromagnetic hysteresis behavior can be exhibited at the molecular level.A MD simulation using 2-body potentials and switches to form and break bonds is implemented to determine whether chemical reaction…
We present a specific class of models for an infrared-finite analytic QCD coupling, such that at large space-like energy scales the coupling differs from the perturbative one by less than any inverse power of the energy scale. This…
Slender beam-like structures frequently occur in engineering applications and often interact at discrete locations through joints or connectors. Accurate modeling of such interactions is particularly challenging when different numerical…
Neutral-atom arrays are a leading platform for quantum technologies, offering a promising route toward large-scale, fault-tolerant quantum computing. We propose a novel quantum processing architecture based on dual-type, dual-element atom…
The quasicontinuum (QC) method, originally proposed by Tadmor, Ortiz and Phillips in 1996, is a computational technique that can efficiently handle regular atomistic lattices by combining continuum and atomistic approaches. In the present…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
We use high-precision spectroscopy and detailed theoretical modelling to determine the form of the coupling between a superconducting phase qubit and a two-level defect. Fitting the experimental data with our theoretical model allows us to…