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Atom segmentation and localization, noise reduction and deblurring of atomic-resolution scanning transmission electron microscopy (STEM) images with high precision and robustness is a challenging task. Although several conventional…

Materials Science · Physics 2021-02-23 Ruoqian Lin , Rui Zhang , Chunyang Wang , Xiao-Qing Yang , Huolin L. Xin

Chiral photonics opens new pathways to manipulate light-matter interactions and tailor the optical response of meta-surfaces and -materials by nanostructuring nontrivial patterns. Chirality of matter, such as that of molecules, and light,…

Optics · Physics 2022-02-16 Oliver Mey , Arash Rahimi-Iman

2D materials offer an ideal platform to study the strain fields induced by individual atomic defects, yet challenges associated with radiation damage have so-far limited electron microscopy methods to probe these atomic-scale strain fields.…

We investigate five different models to reconstruct the 3D $\gamma$-ray hit coordinates in five large \lacls monolithic crystals optically coupled to pixelated silicon photomultipliers. These scintillators have a base surface of 50 $\times$…

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

The industrialization of Laser Additive Manufacturing (LAM) is challenged by the undesirable microstructures and high residual stresses originating from the fast and complex solidification process. Non-destructive assessment of the…

The nature of the atomic defects on the hydrogen passivated Si (100) surface is analyzed using deep learning and scanning tunneling microscopy (STM). A robust deep learning framework capable of identifying atomic species, defects, in the…

Materials Science · Physics 2020-02-19 Maxim Ziatdinov , Udi Fuchs , James H. G. Owen , John N. Randall , Sergei V. Kalinin

The uprising trend of deep learning in computer vision and artificial intelligence can simply not be ignored. On the most diverse tasks, from recognition and detection to segmentation, deep learning is able to obtain state-of-the-art…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Steven Puttemans , Timothy Callemein , Toon Goedemé

Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…

Materials Science · Physics 2023-05-26 Maksim Zhdanov , Andrey Zhdanov

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Materials Science · Physics 2025-01-08 Hongwei Du , Jiamin Wang , Jian Hui , Lanting Zhang , Hong Wang

Recent research efforts in optical computing have gravitated towards developing optical neural networks that aim to benefit from the processing speed and parallelism of optics/photonics in machine learning applications. Among these…

Optics · Physics 2020-12-25 Deniz Mengu , Yair Rivenson , Aydogan Ozcan

Based on the DUSTGRAIN-pathfinder suite of simulations, we investigate observational degeneracies between nine models of modified gravity and massive neutrinos. Three types of machine learning techniques are tested for their ability to…

Cosmology and Nongalactic Astrophysics · Physics 2019-04-17 Julian Merten , Carlo Giocoli , Marco Baldi , Massimo Meneghetti , Austin Peel , Florian Lalande , Jean-Luc Starck , Valeria Pettorino

Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…

Fringe pattern based measurement techniques are the state-of-the-art in full-field optical metrology. They are crucial both in macroscale, e.g., fringe projection profilometry, and microscale, e.g., label-free quantitative phase microscopy.…

Image and Video Processing · Electrical Eng. & Systems 2023-10-25 Maria Cywinska , Mikolaj Rogalski , Filip Brzeski , Krzysztof Patorski , Maciej Trusiak

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

Materials Science · Physics 2023-01-02 He Li , Zun Wang , Nianlong Zou , Meng Ye , Runzhang Xu , Xiaoxun Gong , Wenhui Duan , Yong Xu

Multiscale simulations are indispensable for connecting microstructural features to the macroscopic behavior of polycrystalline materials, but their high computational demands limit their practicality. Deep material networks (DMNs) have…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Ting-Ju Wei , Tung-Huan Su , Chuin-Shan Chen

Electronic structure theory calculations offer an understanding of matter at the quantum level, complementing experimental studies in materials science and chemistry. One of the most widely used methods, density functional theory (DFT),…

Computational Physics · Physics 2024-04-11 Vincent Martinetto , Karan Shah , Attila Cangi , Aurora Pribram-Jones

Thin film oxides are a source of endless fascination for the materials scientist. These materials are highly flexible, can be integrated into almost limitless combinations, and exhibit many useful functionalities for device applications.…

Materials Science · Physics 2025-06-17 Steven R. Spurgeon

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun