相关论文: Atomistic/Continuum Blending with Ghost Force Corr…

We present and study a conformally coupled dark energy model, characterised by an interaction between a tachyon field $\phi$, with an inverse square potential $V (\phi)$, and the matter sector. A detailed analysis of the cosmological…

We present a new variant of the geometry reconstruction approach for the formulation of atomistic/continuum coupling methods (a/c methods). For multi-body nearest-neighbour interactions on the 2D triangular lattice, we show that patch test…

Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle descriptions or interaction potentials. Most approaches…

This work presents new parallelizable numerical schemes for the integration of Dissipative Particle Dynamics with Energy conservation (DPDE). So far, no numerical scheme introduced in the literature is able to correctly preserve the energy…

This paper is a first report on the determination of $\Lambda_{\msbar}$ from lattice simulations with 2+1+1 twisted-mass dynamical flavours {\it via} the computation of the ghost-gluon coupling renormalized in the MOM Taylor scheme. We show…

Ensemble density-functional theory (eDFT) suffers from the so-called "ghost interaction" error when approximate exchange-correlation functionals are used. In this work, we present a rigorous ghost interaction correction (GIC) scheme in the…

Adopting the phantom (ghost) scalar field description of dark energy, we construct a general class of exact interior solutions describing mixed relativistic stars containing both ordinary matter and dark energy in different proportions. The…

We propose a new explicit pseudo-energy and momentum conserving scheme for the time integration of Hamiltonian systems. The scheme, which is formally second-order accurate, is based on two key ideas: the integration during the time-steps of…

A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…

The development of patch test consistent quasicontinuum energies for multi-dimensional crystalline solids modeled by many-body potentials remains a challenge. The original quasicontinuum energy (QCE) has been implemented for many-body…

The formation and motion of lattice defects such as cracks, dislocations, or grain boundaries, occurs when the lattice configuration loses stability, that is, when an eigenvalue of the Hessian of the lattice energy functional becomes…

The coupled dark energy model provides a possible approach to mitigate the coincidence problem of cosmological standard model. Here, the coupling term is assumed as $\bar{Q}=3H\xi_x\bar{\rho}_x$, which is related to the interaction rate and…

This paper studies numerical methods for accurate treatment of the interface between the local and the nonlocal region in a QC approximation of atomistic materials. Only the energy-based methods are considered. Particularly, a…

We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…

In this paper, new schemes to synchronize linearly or nonlinearly coupled chaotic systems with an adaptive coupling strength are proposed. Unlike other adaptive schemes, which synchronize coupled chaotic systems to a special trajectory (or…

In this paper, we apply the dynamical analysis to a coupled phantom field with scaling potential taking particular forms of the coupling (linear and combination of linear), and present phase space analysis. We investigate if there exist…

We discuss the modified gravity which includes negative and positive powers of the curvature and which provides the gravitational dark energy. It is shown that in GR plus the term containing negative power of the curvature the cosmic…

We investigate the role of a possible coupling of dark matter and dark energy. In particular, we explore the consequences of such an interaction for the coincidence problem, i.e., for the question, why the energy densities of dark matter…

We develop a rigorous error analysis for coarse-graining of defect-formation free energy. For a one-dimensional constrained atomistic system, we establish the thermodynamic limit of the defect-formation free energy and obtain explicitly the…

An alternative approach to symmetry restoration within Energy Density Functional, the Symmetry-Conserving EDF is discussed. In this approach, the energy is directly written in terms of the degrees of freedom encoded in the one-, two-...…