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Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art…

Materials Science · Physics 2022-02-16 Ryo Tamura , Momo Matsuda , Jianbo Lin , Yasunori Futamura , Tetsuya Sakurai , Tsuyoshi Miyazaki

The possibility of spatially resolving the optical properties of atomically thin materials is especially appealing as they can be modulated at the micro- and nanoscale by reducing their thickness, changing the doping level or applying a…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andres Castellanos-Gomez , Jorge Quereda , Herko P. van der Meulen , Nicolás Agraït , Gabino Rubio-Bollinger

The Scanning Tunneling Microscope (STM) is a powerful instrument to study electronic density of states at surfaces down to atomic scale. Many interesting samples require studying variations as a function of the magnetic field, which is most…

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a backlog of decades and an increasing amount of these…

Computer Vision and Pattern Recognition · Computer Science 2022-05-24 Youjun Xu , Jinchuan Xiao , Chia-Han Chou , Jianhang Zhang , Jintao Zhu , Qiwan Hu , Hemin Li , Ningsheng Han , Bingyu Liu , Shuaipeng Zhang , Jinyu Han , Zhen Zhang , Shuhao Zhang , Weilin Zhang , Luhua Lai , Jianfeng Pei

Research in semiconductor physics has advanced to the study of two-dimensional (2D) materials where the surface controls electronic transport. A scanning probe microscope (SPM) is an ideal tool to image electronic motion in these devices by…

Mesoscale and Nanoscale Physics · Physics 2017-02-01 Sagar Bhandari , Robert M. Westervelt

We introduce a machine learning approach to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). Our method is…

Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical…

Arbitrary text appearance poses a great challenge in scene text recognition tasks. Existing works mostly handle with the problem in consideration of the shape distortion, including perspective distortions, line curvature or other style…

Computer Vision and Pattern Recognition · Computer Science 2021-10-26 Chengwei Zhang , Yunlu Xu , Zhanzhan Cheng , Shiliang Pu , Yi Niu , Fei Wu , Futai Zou

Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Materials Science · Physics 2023-09-07 Andreas Leitherer , Byung Chul Yeo , Christian H. Liebscher , Luca M. Ghiringhelli

Optical Chemical Structure Recognition (OCSR) plays a pivotal role in modern chemical informatics, enabling the automated conversion of chemical structure images from scientific literature, patents, and educational materials into…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Wenrui Zhang , Xinggang Wang , Bin Feng , Wenyu Liu

The calculation of chemical shifts in solids has enabled methods to determine crystal structures in powders. The dependence of chemical shifts on local atomic environments sets them among the most powerful tools for structure elucidation of…

Autonomous robots must reason about the physical consequences of their actions to operate effectively in unstructured, real-world environments. We present Scan, Materialize, Simulate (SMS), a unified framework that combines 3D Gaussian…

Robotics · Computer Science 2025-05-22 Amine Elhafsi , Daniel Morton , Marco Pavone

Scanning Tunneling Microscopy (STM) is a powerful technique that utilizes quantum tunneling to visualize atomic surfaces with high precision. This study presents detailed topographic maps and evaluates the local density of states (LDOS) for…

Mesoscale and Nanoscale Physics · Physics 2024-02-19 Dhananjay Saikumar

Autonomous experimentation has emerged as an efficient approach to accelerate the pace of materials discovery. Although instruments for autonomous synthesis have become popular in molecular and polymer science, solution processing of hybrid…

Medical image segmentation is a fundamental task for medical image analysis and surgical planning. In recent years, UNet-based networks have prevailed in the field of medical image segmentation. However, convolution-neural networks (CNNs)…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Xin You , Junjun He , Jie Yang , Yun Gu

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

Machine Learning · Computer Science 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

This study explores the application of Convolutional Autoencoders (CAEs) for analyzing and reconstructing Scanning Tunneling Microscopy (STM) images of various crystalline lattice structures. We developed two distinct CAE architectures to…

Numerical Analysis · Mathematics 2025-01-24 Peter Binev , Joshua Moorehead , Ayush Parambath , Luke Parrella , Rori Pumphrey , Miruna Savu

The quantitative composition of metal alloy nanowires on InSb(001) semiconductor surface and gold nanostructures on germanium surface is determined by blind source separation (BSS) machine learning (ML) method using non negative matrix…

Mesoscale and Nanoscale Physics · Physics 2017-10-17 Benedykt R. Jany , Arkadiusz Janas , Franciszek Krok

Deep learning has demonstrated superb efficacy in processing imaging data, yet its suitability in solving challenging inverse problems in scientific imaging has not been fully explored. Of immense interest is the determination of local…

Materials Science · Physics 2019-02-20 Nouamane Laanait , Qian He , Albina Y. Borisevich

Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…

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