相关论文: Blended Ghost Force Correction Method for 3D Cryst…

We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…

Variational phase-field methods have been shown powerful for the modeling of complex crack propagation without a priori knowledge of the crack path or ad hoc criteria. However, phase-field models suffer from their energy functional being…

Fracton topological phases have a large number of materialized symmetries that enforce a rigid structure on their excitations. Remarkably, we find that the symmetries of a quantum error-correcting code based on a fracton phase enable us to…

The ghost Gutzwiller ansatz (gGut) embedding technique was shown to achieve comparable accuracy to the gold standard dynamical mean-field theory method in simulating real material properties, yet at a much lower computational cost. Despite…

In this paper, we propose a novel multi-level aggregation network to regress the coordinates of the vertices of a 3D face from a single 2D image in an end-to-end manner. This is achieved by seamlessly combining standard convolutional neural…

We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and crystal growth in the diffusion-controlled limit. We refine the…

If unaligned multimodal medical images can be simultaneously aligned and fused using a single-stage approach within a unified processing framework, it will not only achieve mutual promotion of dual tasks but also help reduce the complexity…

We present a perturbative triples correction to the relativistic quadratic unitary coupled cluster singles and doubles (qUCCSD) method, denoted as qUCCSD[T]. The method builds upon the Hermitian structure of the unitary ansatz and employs a…

Consider the scattering of a time-harmonic acoustic incident wave by a bounded, penetrable, and isotropic elastic solid, which is immersed in a homogeneous compressible air or fluid. The paper concerns the numerical solution for such an…

Existing Multi-view Clustering (MVC) methods based on subspace learning focus on consensus representation learning while neglecting the inherent topological structure of data. Despite the integration of Graph Neural Networks (GNNs) into…

We show that point defects in two-dimensional photonic crystals can support bound states in the continuum (BICs). The mechanism of confinement is a symmetry mismatch between the defect mode and the Bloch modes of the photonic crystal. These…

Atomistic/continuum coupling methods aim to achieve optimal balance between accuracy and efficiency. Adaptivity is the key for the efficient implementation of such methods. In this paper, we carry out a rigorous a posteriori analysis of the…

We present an overview of beyond mean field theories (BMFT) based on the generator coordinate method (GCM) and the recovery of symmetries used in nuclear physics with effective forces. After a reminder of the Hartree-Fock-Bogoliubov (HFB)…

The block coordinate descent (BCD) method is widely used for minimizing a continuous function f of several block variables. At each iteration of this method, a single block of variables is optimized, while the remaining variables are held…

Computational complexity of the brute-force implementation of the bilateral filter (BF) depends on its filter kernel size. To achieve the constant-time BF whose complexity is irrelevant to the kernel size, many techniques have been…

Generalized gradient approximated (GGA) density functional theory (DFT) typically overestimates polarizability and bond-lengths, and underestimates force constants of covalent bonds. To overcome this problem we show that one can use…

While the diagonalization of a quadratic bosonic form can always be done using a Bogoliubov transformation, the practical implementation for systems with a large number of different bosons is a tedious analytical task. Here we use the…

We present a particle method for estimating the curvature of interfaces in volume-of-fluid simulations of multiphase flows. The method is well suited for under-resolved interfaces, and it is shown to be more accurate than the parabolic…

We present a way to dramatically accelerate Gaussian process models for interatomic force fields based on many-body kernels by mapping both forces and uncertainties onto functions of low-dimensional features. This allows for automated…

Panoptic lifting is an effective technique to address the 3D panoptic segmentation task by unprojecting 2D panoptic segmentations from multi-views to 3D scene. However, the quality of its results largely depends on the 2D segmentations,…