相关论文: Combined sub-sampling and analytical integration f…

Motivated by the need to study the molecular mechanism underlying Type 1 Diabetes (T1D) with the gene expression data collected from both the patients and healthy controls at multiple time points, we propose an innovative method for jointly…

We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…

We present an automatic, high-order accurate, and adaptive Brillouin zone integration algorithm for the calculation of the optical conductivity with a non-zero but small broadening factor $\eta$, focusing on the case in which a Hamiltonian…

An efficient hybrid numerical method for multiple scattering calculations is proposed. We use the well established doubling--adding method to find the reflection function of the lowermost homogeneous slab comprising the atmosphere of our…

We present a novel algorithm based on a Bayesian method for 2D tilted-ring analysis of disk galaxy velocity fields. Compared to the conventional algorithms based on a chi-squared minimisation procedure, this new Bayesian-based algorithm…

We demonstrate a new approach to integrate single layer MoSeR2R and WSeR2R flakes into monolithic all-dielectric planar high-quality micro-cavities. These distributed-Bragg-reflector (DBR) cavities may e.g. be tuned to match the exciton…

Recent discoveries of gravitational wave (GW) signals from astrophysical compact binary systems of neutron stars and black holes have firmly established them as prime sources for advanced GW detectors. Theoretical templates of expected…

In recent years, the $GW$ method has emerged as a reliable tool for computing core-level binding energies. The contour deformation (CD) technique has been established as an efficient, scalable, and numerically stable approach to compute the…

In recent times, three-dimensional (3D) metamaterials have undergone a revolution driven mainly by the popularization of 3D-printing techniques, which has enabled the implementation of modern microwave and photonic devices with advanced…

Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equilibrium crystal structures typically requires expensive…

Recent advances in 3D Gaussian splatting have significantly improved real-time novel view synthesis, yet insufficient geometric constraints during scene optimization often result in blurred reconstructions of fine-grained details,…

A new weak Galerkin (WG) finite element method for solving the biharmonic equation in two or three dimensional spaces by using polynomials of reduced order is introduced and analyzed. The WG method is on the use of weak functions and their…

Ultracompact nonlinear optical devices utilizing two-dimensional (2D) materials and nanostructures are emerging as important elements of photonic circuits. Integration of the nonlinear material into a subwavelength cavity or waveguide leads…

In this thesis, a new approach for constructing subdivision algorithms for generalized quadratic and cubic B-spline subdivision for subdivision surfaces and volumes is presented. First, a catalog of quality criteria for these subdivision…

This paper presents an innovative approach to computational acoustic imaging of biperiodic surfaces, exploiting the capabilities of an acoustic superlens to overcome the diffraction limit. We address the challenge of imaging physical…

The rapid progress of electron spin resonance scanning tunneling microscopy experiments has enabled the manipulation of individual adsorbate spin states physisorbed on ultrathin oxide layers supported on metal substrates. Electron resonance…

We present a real-time, non-learning depth estimation method that fuses Light Detection and Ranging (LiDAR) data with stereo camera input. Our approach comprises three key techniques: Semi-Global Matching (SGM) stereo with Discrete…

4D seismic inversion is the leading method to quantitatively monitor fluid flow dynamics in the subsurface, with applications ranging from enhanced oil recovery to subsurface CO2 storage. The process of inverting seismic data for reservoir…

Electronic structure calculations based on density-functional theory (DFT) represent a significant part of today's HPC workloads and pose high demands on high-performance computing resources. To perform these quantum-mechanical DFT…

Molecular self-assembly is a well-known technique to create highly functional nanostructures on surfaces. Self-assembly on two-dimensional materials is a developing field and has already resulted in the discovery of several rich and…