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We present the design and implementation of a scanning probe microscope, which combines electrically detected magnetic resonance (EDMR) and (photo-)conductive atomic force microscopy ((p)cAFM). The integration of a 3-loop 2-gap X-band…

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range of structural, physical, and chemical properties of…

Machine Learning · Computer Science 2023-06-09 Arpan Biswas , Maxim Ziatdinov , Sergei V. Kalinin

We propose a new microscopy simulation system that can depict atomistic models in a micrograph visual style, similar to results of physical electron microscopy imaging. This system is scalable, able to represent simulation of electron…

Quantitative Methods · Quantitative Biology 2026-03-27 Ngan Nguyen , Feng Liang , Dominik Engel , Ciril Bohak , Peter Wonka , Timo Ropinski , Ivan Viola

Atomic scale characterization and manipulation with scanning probe microscopy rely upon the use of an atomically sharp probe. Here we present automated methods based on machine learning to automatically detect and recondition the quality of…

Mesoscale and Nanoscale Physics · Physics 2018-03-26 Mohammad Rashidi , Robert A. Wolkow

Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…

Signal Processing · Electrical Eng. & Systems 2018-07-12 David Ren , Michael Chen , Laura Waller , Colin Ophus

Scanning transmission electron microscopy is a common tool used to study the atomic structure of materials. It is an inherently multimodal tool allowing for the simultaneous acquisition of multiple information channels. Despite its…

This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometric slab terminations and evaluates their…

Materials Science · Physics 2026-04-30 Sourav Baiju , Payam Kaghazchi

Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…

Computational Physics · Physics 2018-10-16 Giulio Imbalzano , Andrea Anelli , Daniele Giofr é , Sinja Klees , J örg Behler , Michele Ceriotti

Recently, machine learning has emerged as an alternative, powerful approach for predicting quantum-mechanical properties of molecules and solids. Here, using kernel ridge regression and atomic fingerprints representing local environments of…

Materials Science · Physics 2018-03-08 Teppei Suzuki , Ryo Tamura , Tsuyoshi Miyazaki

In recent years, many types of machine learning potentials (MLPs) have been introduced, which are able to represent high-dimensional potential-energy surfaces (PES) with close to first-principles accuracy. Most current MLPs rely on atomic…

Materials Science · Physics 2022-04-06 Marius Herbold , Jörg Behler

Electrostatic forces are among the most common interactions in nature and omnipresent at the nanoscale. Scanning probe methods represent a formidable approach to study these interactions locally. The lateral resolution of such images is,…

Mesoscale and Nanoscale Physics · Physics 2023-12-22 Christian Wagner , F. Stefan Tautz

We demonstrate identification of position, material, orientation and shape of objects imaged by an $^{85}$Rb atomic magnetometer performing electromagnetic induction imaging supported by machine learning. Machine learning maximizes the…

Atomic Physics · Physics 2018-01-24 Cameron Deans , Lewis D. Griffin , Luca Marmugi , Ferruccio Renzoni

Atomistic modeling of thin-film processes provides an avenue not only for discovering key chemical mechanisms of the processes but also to extract quantitative metrics on the events and reactions taking place at the gas-surface interface.…

Materials Science · Physics 2025-05-05 S. Kondati Natarajan , J. Schneider , N. Pandey , J. Wellendorff , S. Smidstrup

Atomic force microscopy (AFM) is one of the most promising methods for investigating the structure of materials at the micro and nanoscale levels, as well as their local physical-mechanical properties. The experimental data obtained with…

Materials Science · Physics 2018-05-07 Oleg K. Garishin , Roman I. Izyumov , Alexander L. Svistkov

Recent advances in mechanical-diode based ultrasonic force microscopy techniques are reviewed. The potential of Ultrasonic Force Microscopy (UFM) for the study of material elastic properties is explained in detail. Advantages of the…

Applied Physics · Physics 2019-01-23 M. Teresa Cuberes

With the invention of scanning probe techniques, direct imaging of single atoms and molecules became possible. Today, scanning tunnelling microscopy (STM) routinely provides angstrom-scale image resolution. At the same time, however, STM…

Mesoscale and Nanoscale Physics · Physics 2024-01-30 C. Weiss , C. Wagner , C. Kleimann , F. S. Tautz , R. Temirov

We introduce a new image contrast mechanism for scanning transmission electron microscopy (STEM) that derives from the local symmetry within the specimen. For a given position of the electron probe on the specimen, the image intensity is…

Materials Science · Physics 2020-12-30 Matus Krajnak , Joanne Etheridge

Physics-driven discovery in an autonomous experiment has emerged as a dream application of machine learning in physical sciences. Here we develop and experimentally implement a deep kernel learning workflow combining the correlative…

Materials Science · Physics 2022-11-24 Kevin M. Roccapriore , Sergei V. Kalinin , Maxim Ziatdinov

Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert