相关论文: Highly asymmetric electrolytes in the primitive mo…
We extend an approximation earlier developed by us for the single-impurity Anderson model to a full-size impurity solver for models of interacting electrons with multiple orbitals. The approximation is based on parquet equations simplified…
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also…
Recently Ermon et al. (2013) pioneered a way to practically compute approximations to large scale counting or discrete integration problems by using random hashes. The hashes are used to reduce the counting problem into many separate…
Single-reference methods such as Hartree-Fock-based coupled cluster theory are well known for their accuracy and efficiency for weakly correlated systems. For strongly correlated systems, more sophisticated methods are needed. Recent…
Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer…
We propose several versions of primitive models of room temperature ionic liquids (RTILs) and develop a mean spherical approximation (MSA)-type theory for their description. RTIL is modeled as a two-component mixture of hard-sphere anions…
In this comprehensible article we develop, following Fantoni and Rosati formalism, a hypernetted chain approximation for one dimensional systems of fermions. Our scheme differs from previous treatments in the form that the whole set of…
We propose the Compact Coupling Interface Method (CCIM), a finite difference method capable of obtaining second-order accurate approximations of not only solution values but their gradients, for elliptic complex interface problems with…
We report calculations of the superfluid pairing gap in neutron matter for the $^1S_0$ components of the Reid soft-core $V_6$ and the Argonne $V_{4}'$ two-nucleon interactions. Ground-state calculations have been carried out using the…
Accurate models of alkali and halide ions in aqueous solution are necessary for computer simulations of a broad variety of systems. Previous efforts to develop ion force fields have generally focused on reproducing experimental measurements…
A single layer neural network for the solution of linear equations is presented. The proposed circuit is based on the standard Hopfield model albeit with the added flexibility that the interconnection weight matrix need not be symmetric.…
A semi-microscopic model for nucleon pairing in nuclei is presented starting from the ab intio BCS gap equation with Argonne v18 force and the self-consistent Energy Density Functional Method basis characterized with the bare nucleon mass.…
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulomb interactions poses a major challenge to molecular…
Many-body correlations in strongly coupled liquids and plasmas are critical for many applications in nanofluids, biology, and fusion-related plasma physics, but their description in fully heterogeneous environments remains challenging due…
We investigate the ion distribution and overcharging at charged interfaces with dielectric inhomogeneities in the presence of asymmetric electrolytes containing polyvalent and monovalent ions. We formulate an effective "dressed counterion"…
We present and analyze a methodology for numerical homogenization of spatial networks, modelling e.g. diffusion processes and deformation of mechanical structures. The aim is to construct an accurate coarse model of the network. By solving…
We consider Ising models on the hypercube with a general interaction matrix $J$, and give a polynomial time sampling algorithm when all but $O(1)$ eigenvalues of $J$ lie in an interval of length one, a situation which occurs in many models…
We present a new implementation of the hybrid antisymmetrized Coupled Channels (haCC) method in the framework of the tRecX [A. Scrinzi, Comp. Phys. Comm., 270:108146, 2022.]. The method represents atomic and molecular multi-electron…
This study proposes a high-order multi-scale method tailored for time-dependent nonlinear thermo-electro-mechanical coupling problems of composite structures with highly spatial heterogeneity, which incorporate temperature-dependent…
A tensor decomposition approach for the solution of high-dimensional, fully nonlinear Hamilton-Jacobi-Bellman equations arising in optimal feedback control of nonlinear dynamics is presented. The method combines a tensor train approximation…