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Many new material systems are being explored to enable smaller, more capable and energy efficient devices. These bottom up approaches for atomic and molecular electronics, quantum computation, and data storage all rely on a well-developed…

Materials Science · Physics 2020-02-11 Roshan Achal , Mohammad Rashidi , Jeremiah Croshaw , Taleana Huff , Robert A. Wolkow

Tidal debris structures formed from disrupted satellites contain important clues about the assembly histories of galaxies. To date, studies of these structures have been hampered by reliance on by-eye identification and morphological…

Astrophysics of Galaxies · Physics 2019-04-24 David Hendel , Kathryn V. Johnston , Rohit K. Patra , Bodhisattva Sen

Super-resolution microscopy is crucial for imaging sub-wavelength biological structures. However, most techniques rely on nonlinear saturation or stochastic switching of emitters, limiting imaging speed and increasing phototoxicity. Here,…

Medical images like CT and MRI provide detailed information about the internal structure of the body, and identifying key anatomical structures from these images plays a crucial role in clinical workflows. Current methods treat it as a…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Xiaoyu Bai , Yong Xia

Structure and function in nanoscale atomistic assemblies are tightly coupled, and every atom with its specific position and even every electron will have a decisive effect on the electronic structure, and hence, on the molecular properties.…

Chemical Physics · Physics 2024-02-21 Katja-Sophia Csizi , Markus Reiher

Multi-tip scanning tunneling microscopy (STM) is a powerful method to perform charge transport measurements at the nanoscale. With four STM tips positioned on the surface of a sample, four-point resistance measurements can be performed in…

Mesoscale and Nanoscale Physics · Physics 2022-01-28 A. Leis , V. Cherepanov , B. Voigtländer , F. S. Tautz

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP) -- the problem of identifying the stable crystal structures that will form from a given molecule based only on its molecular composition. Our…

Materials Science · Physics 2023-12-12 Amit Kadan , Kevin Ryczko , Andrew Wildman , Rodrigo Wang , Adrian Roitberg , Takeshi Yamazaki

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Martijn Oldenhof , Edward De Brouwer , Adam Arany , Yves Moreau

Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…

Machine Learning · Computer Science 2019-02-13 Kui Xu , Zhe Wang , Jiangping Shi , Hongsheng Li , Qiangfeng Cliff Zhang

Scanning tunneling microscopy (STM) is perhaps the most promising way to detect the superconducting gap size and structure in the canonical unconventional superconductor Sr$_2$RuO$_4$ directly. However, in many cases, researchers have…

Superconductivity · Physics 2024-12-02 Adrian Valadkhani , Jonas B. Profe , Andreas Kreisel , P. J. Hirschfeld , Roser Valentí

Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amount of information such as crystal structure, presence and…

The underlying physics behind an experimental observation often lacks a simple analytical description. This is especially the case for scanning probe microscopy techniques, where the interaction between the probe and the sample is…

Non--Contact Atomic Force Microscopy with CO--functionalized metal tips (referred to as HR-AFM) provides access to the internal structure of individual molecules adsorbed on a surface with totally unprecedented resolution. Previous works…

Electronic conduction pathways in dielectric thin films are explored using automated experiments in scanning probe microscopy (SPM). Here, we use large field of view scanning to identify the position of localized conductive spots and…

We present PyAtoms, an interactive open-source software that rapidly simulates atomic-scale scanning tunneling microscopy (STM) and other scanning probe microscopy (SPM) images of two-dimensional (2D) layered materials, moir\'{e} systems,…

Statistical Shape Modeling (SSM) effectively analyzes anatomical variations within populations but is limited by the need for manual localization and segmentation, which relies on scarce medical expertise. Recent advances in deep learning…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Janmesh Ukey , Tushar Kataria , Shireen Y. Elhabian

Biological screens are plagued by false positive hits resulting from aggregation. Thus, methods to triage small colloidally aggregating molecules (SCAMs) are in high demand. Herein, we disclose a bespoke machine-learning tool to confidently…

Quantitative Methods · Quantitative Biology 2021-05-04 Kuan Lee , Ann Yang , Yen-Chu Lin , Daniel Reker , Goncalo J. L. Bernardes , Tiago Rodrigues

Scanning tunneling microscopy (STM) can be used to detect inelastic spin transitions in magnetic nano-structures comprising only a handful of atoms. Here we demonstrate that STM can uniquely identify the electrostatic spin crossover effect,…

Mesoscale and Nanoscale Physics · Physics 2015-06-15 Aaron Hurley , Nadjib Baadji , Stefano Sanvito

Recent developments in deep learning-based methods demonstrated its potential to predict the 3D protein structures using inputs such as protein sequences, Cryo-Electron microscopy (Cryo-EM) images of proteins, etc. However, these methods…

Computer Vision and Pattern Recognition · Computer Science 2022-11-29 Jaydeep Rade , Soumik Sarkar , Anwesha Sarkar , Adarsh Krishnamurthy

It has been shown that electron transitions, as measured in a scanning tunnelling microscope (STM), are related to chemical interactions in a tunnelling barrier. Here, we show that the shape and apparent height of subatomic features in an…

Materials Science · Physics 2009-11-11 Linda Zotti , Werner A. Hofer , Franz J. Giessibl