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Compressed sensing can decrease scanning transmission electron microscopy electron dose and scan time with minimal information loss. Traditionally, sparse scans used in compressed sensing sample a static set of probing locations. However,…

Machine Learning · Computer Science 2021-03-12 Jeffrey M. Ede

Recent advances in cancer research largely rely on new developments in microscopic or molecular profiling techniques offering high level of detail with respect to either spatial or molecular features, but usually not both. Here, we present…

All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and…

Materials Science · Physics 2024-03-21 Stephen R. Xie , Matthias Rupp , Richard G. Hennig

We propose a new method to investigate interactions involved in atomic force microscopy (AFM). It is a dynamical method relying on the growth of oscillations via parametric resonance. With this method the second and third derivatives of the…

Materials Science · Physics 2007-05-23 Franz-Josef Elmer

Utilizing the Pauli equation based multislice method, introduced in Phys. Rev. Lett. 116, 127203 (2016), we study the atomic resolution differential phase contrast (DPC) imaging on an example of a hard magnet FePt with in-plane…

Materials Science · Physics 2019-06-05 Alexander Edström , Axel Lubk , Ján Rusz

X-ray linear dichroism has been pivotal for probing electronic anisotropies, but its inherent limited spatial resolution precludes atomic-scale investigations of orbital polarization. Here we introduce a versatile electron linear dichroism…

Materials Science · Physics 2025-11-25 Roger Guzman , Ján Rusz , Ang Li , Juan Carlos Idrobo , Wu Zhou , Jaume Gazquez

Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules. A regular task of STM image…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand

The Probe-Particle Model combine theories designed for the simulation of scanning probe microscopy experiments, employing non-reactive, flexible tip apices to achieve sub-molecular resolution. In the article we present the latest version of…

Mesoscale and Nanoscale Physics · Physics 2024-07-02 Niko Oinonen , Aliaksandr V. Yakutovich , Aurelio Gallardo , Martin Ondracek , Prokop Hapala , Ondrej Krejci

Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the…

Image and Video Processing · Electrical Eng. & Systems 2025-03-17 Huanhuan Zhao , Ruben Millan-Solsona , Marti Checa , Spenser R. Brown , Jennifer L. Morrell-Falvey , Liam Collins , Arpan Biswas

Fundamental mechanisms of energy storage, corrosion, sensing, and multiple biological functionalities are directly coupled to electrical processes and ionic dynamics at solid-liquid interfaces. In many cases, these processes are spatially…

Materials Science · Physics 2017-01-25 Liam Collins , Jason Kilpatrick , Sergei V. Kalinin , Brian J. Rodriguez

Ever increasing hardware capabilities and computation powers have made acquisition and analysis of big scientific data at the nanoscale routine, though much of the data acquired often turns out to be redundant, noisy, and/or irrelevant to…

Materials Science · Physics 2020-08-04 Boyuan Huang , Ehsan Nasr Esfahani , Jiangyu Li

With full knowledge of a material's atomistic structure, it is possible to predict any macroscopic property of interest. In practice, this is hindered by limitations of the chosen characterisation techniques. For example, electron…

Significant progress in many classes of materials could be made with the availability of experimentally-derived large datasets composed of atomic identities and three-dimensional coordinates. Methods for visualizing the local atomic…

The increasing use of two-dimensional (2D) materials in nanoelectronics demands robust metrology techniques for electrical characterization, especially for large-scale production. While atomic force microscopy (AFM) techniques like…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Levi Harris , Md Jayed Hossain , Mufan Qiu , Ruichen Zhang , Pingchuan Ma , Tianlong Chen , Jiaqi Gu , Seth Ariel Tongay , Umberto Celano

Recording atomic-resolution transmission electron microscopy (TEM) images is becoming increasingly routine. A new bottleneck is then analyzing this information, which often involves time-consuming manual structural identification. We have…

We have carried out time--domain electrostatic force spectroscopy on two different ion conducting glasses using an atomic force microscope. We compare the electrostatic force spectroscopic data obtained at different temperatures with…

Materials Science · Physics 2009-11-10 A. Schirmeisen , A. Taskiran , H. Fuchs , B. Roling , S. Murugavel , H. Bracht , F. Natrup

Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic, and can be systematically improved with training. Highly…

Chemical Physics · Physics 2015-06-16 John C. Snyder , Matthias Rupp , Katja Hansen , Leo Blooston , Klaus-Robert Müller , Kieron Burke

Three-dimensional atomic force microscopy (3D-AFM) has been a powerful tool to probe the atomic-scale structure of solid-liquid interfaces. As a nanoprobe moves along the 3D volume of interfacial liquid, the probe-sample interaction force…

Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…