Related papers: Analysis of Blended Atomistic/Continuum Hybrid Met…
We developed a new self-adjoint, consistent, and stable coupling strategy for nonlocal diffusion models, inspired by the quasinonlocal atomistic-to-continuum method for crystalline solids. The proposed coupling model is coercive with…
We recently proposed a novel approach to converging electronic energies equivalent to high-level coupled-cluster (CC) computations by combining the deterministic CC($P$;$Q$) formalism with the stochastic configuration interaction (CI) and…
A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Non-ideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and…
We prove the quasi-optimal convergence of a standard adaptive finite element method (AFEM) for nonlinear elliptic second-order equations of monotone type. The adaptive algorithm is based on residual-type a posteriori error estimators and…
An analysis method is proposed to study the forward-backward (FB) multiplicity fluctuation in high-energy nuclear collisions, built on the earlier work of Bzdak and Teaney. The method allows the decomposition of the centrality dependence of…
Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…
We report a numerical study of the equation of state of crystalline body-centered-cubic (BCC) hydrogen, tackled with a variety of complementary many-body wave function methods. These include continuum stochastic techniques of fixed-node…
We study quantum spin systems in the 1D, 2D square and 3D cubic lattices with nearest-neighbour XY exchange. We use the coupled-cluster method (CCM) to calculate the ground-state energy, the T=0 sublattice magnetisation and the excited…
Breakjunction experiments allow investigating electronic and spintronic properties at the atomic and molecular scale. These experiments generate by their very nature broad and asymmetric distributions of the observables of interest, and…
We propose and analyze a linear and partitioned finite element method for fluid-shell interactions under the arbitrary Lagrangian-Eulerian (ALE) framework. We adopt the P1-bubble/P1/P1 elements for the fluid velocity, pressure, and…
The entanglement properties of the phase transition in a two dimensional harmonic lattice, similar to the one observed in recent ion trap experiments, are discussed both, for finite number of particles and thermodynamical limit. We show…
During a crossover via a switching mechanism from one 2-body potential to another as might be applied in modeling (chemical) reactions in the vicinity of bond formation, energy violations would occur due to finite step size which determines…
A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…
We revisit a unified methodology for the iterative solution of nonlinear equations in Hilbert spaces. Our key observation is that the general approach from [Heid & Wihler, Math. Comp. 89 (2020), Calcolo 57 (2020)] satisfies an energy…
We introduce a general and accurate method for determining lattice phase shifts and mixing angles, which is applicable to arbitrary, non-cubic lattices. Our method combines angular momentum projection, spherical wall boundaries and an…
Two interacting atomic ensembles display a Dicke-like quantum phase transition above a critical coupling strength. We show that an ensemble-ensemble entanglement accompanies the quantum phase transition. We derive entanglement criteria,…
We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…
We introduce a new form of coupling between dark energy and dark matter that is quadratic in their energy densities. Then we investigate the background dynamics when dark energy is in the form of exponential quintessence. The three types of…
In a recent experiment [Vochezer {\it et al.,} Phys. Rev. Lett. \textbf{120}, 073602 (2018)], a novel kind of hybrid atom-opto-mechanical system has been realized by coupling atoms in a lattice to a membrane. While such system promises a…
Lattice systems and discrete networks with dissipative interactions are successfully employed as meso-scale models of heterogeneous solids. As the application scale generally is much larger than that of the discrete links, physically…