相关论文: ViPErLEED package I: Calculation of $I(V)$ curves …
Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…
Diffusion models show promise for 3D molecular generation, but face a fundamental trade-off between sampling efficiency and conformational accuracy. While flow-based models are fast, they often produce geometrically inaccurate structures,…
The Leadership in Energy and Environmental Design (LEED) certification process is characterized by labor-intensive requirements for data handling, simulation, and documentation. This paper presents an automated platform designed to…
A new instrument for spot profile analysis of electron diffraction - SPA-LEED - has been set up. The instrument works either with a transparent phosphor screen for visual inspection of the pattern or in its main mode with a channeltron for…
Infrared small target detection(IRSTD) is widely recognized as a challenging task due to the inherent limitations of infrared imaging, including low signal-to-noise ratios, lack of texture details, and complex background interference. While…
We have used Low Energy Electron Diffraction (LEED) I-V analysis and ab initio calculations to quantitatively determine the honeycomb chain model structure for the Si(111)-3x2-Sm surface. This structure and a similar 3x1 recontruction have…
Analysis of measured X-ray diffraction (XRD) data from heterostructures with fitting analysis is discussed, for which computer program was written. Lattice constant and Poisson's ratio of a multi-compound layer is calculated from Vegard's…
Lead optimization is a key step in drug discovery to produce potent and selective compounds. Historically, in silico screening and structure-based small molecule designing facilitated the processes. Although the recent application of deep…
Safe autonomous agents and mobile robots need fast real time 3D perception, especially for vulnerable road users (VRUs) such as pedestrians. We introduce a new bird's eye view (BEV) encoding, which maps the full 3D LiDAR point cloud into a…
During the last few years, serial electron crystallography (Serial Electron Diffraction, SerialED) has been gaining attention for the structure determination of crystalline compounds that are sensitive to the irradiation of the electron…
This study presents a finite element and virtual element (FE-VE) coupled method for thermomechanical analysis in electronic packaging structures. The approach partitions computational domains strategically, employing FEM for regular…
Three-dimensional electron diffraction (3DED) is a powerful technique providing for crystal structure solutions of sub-micron sized crystals too small for structure determination via X-ray techniques. The entry requirement, however, of a…
Photoelectron diffraction (PED) is a powerful and essential experimental technique for resolving the structure of surfaces with sub-angstrom resolution. In the high energy regime, researchers in angle-resolved photoemission spectroscopy…
Integrating LiDAR and camera information in the bird's eye view (BEV) representation has demonstrated its effectiveness in 3D object detection. However, because of the fundamental disparity in geometric accuracy between these sensors,…
While latent diffusion models achieve impressive image editing results, their application to iterative editing of the same image is severely restricted. When trying to apply consecutive edit operations using current models, they accumulate…
Since its launch, TESS has provided high cadence observations for objects across the sky. Although high cadence TESS observations provide a unique possibility to study the rapid time evolution of numerous objects, artifacts in the data make…
A hybrid framework integrating the Virtual Element Method (VEM) with deep learning is presented as an initial step toward developing efficient and flexible numerical models for one-dimensional Euler-Bernoulli beams. The primary aim is to…
Diffusion models, widely used in image generation, rely on iterative refinement to generate images from noise. Understanding this data evolution is important for model development and interpretability, yet challenging due to its…
Total-reflection high-energy positron diffraction (TRHEPD) is a novel experimental method for the determination of surface structure, which has been extensively developed at the Slow Positron Facility, Institute of Materials Structure…
Diffusion models have recently set new benchmarks in Speech Enhancement (SE). However, most existing score-based models treat speech spectrograms merely as generic 2D images, applying uniform processing that ignores the intrinsic structural…