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Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat

Field ion microscopy (FIM) allows to image individual surface atoms by exploiting the effect of an intense electric field. Widespread use of atomic resolution imaging by FIM has been hampered by a lack of efficient image processing/data…

We address the fundamental question of how to optimally probe a scene with electromagnetic (EM) radiation to yield a maximum amount of information relevant to a particular task. Machine learning (ML) techniques have emerged as powerful…

Isolating the features associated with different materials growth conditions is important to facilitate the tuning of these conditions for effective materials growth and characterization. This study presents machine learning models for…

Materials Science · Physics 2024-02-05 Isaiah A. Moses , Wesley F. Reinhart

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…

We present Advancing Front Mapping (AFM), a provably robust algorithm for the computation of surface mappings to simple base domains. Given an input mesh and a convex or star-shaped target domain, AFM installs a (possibly refined) version…

Computational Geometry · Computer Science 2024-01-08 Marco Livesu

The growth and characterization of materials using empirical optimization typically requires a significant amount of expert time, experience, and resources. Several complementary characterization methods are routinely performed to determine…

Materials Science · Physics 2025-08-20 Isaiah A. Moses , Chen Chen , Joan M. Redwing , Wesley F. Reinhart

Atomic Force Microscopy (AFM) enables high-resolution surface imaging at the nanoscale, yet the output is often degraded by artifacts introduced by environmental noise, scanning imperfections, and tip-sample interactions. To address this…

Computer Vision and Pattern Recognition · Computer Science 2026-02-05 Juntao Zhang , Angona Biswas , Jaydeep Rade , Charchit Shukla , Juan Ren , Anwesha Sarkar , Adarsh Krishnamurthy , Aditya Balu

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…

Deep learning underlies most modern approaches and tools in computer vision, including biomedical imaging. However, for interactive semantic segmentation (often called pixel classification in this context) and interactive object-level…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Carolin Teuber , Anwai Archit , Tobias Boothe , Peter Ditte , Jochen Rink , Constantin Pape

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…

Mesoscale and Nanoscale Physics · Physics 2022-05-12 Jack Hellerstedt , Aleš Cahlík , Martin Švec , Oleksandr Stetsovych , Tyler Hennen

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

Atomic Force Microscopy (AFM) operating in the frequency modulation mode with a metal tip functionalized with a CO molecule images the internal structure of molecules with an unprecedented resolution. The interpretation of these images is…

Materials Science · Physics 2022-12-29 Jaime Carracedo-Cosme , Rubén Pérez

Quantum technologies are rapidly advancing as image classification tasks grow more complex due to large image volumes and extensive parameter updates required by traditional machine learning models. Quantum Machine Learning (QML) offers a…

Quantum Physics · Physics 2025-04-29 Md Farhan Shahriyar , Gazi Tanbhir

First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Chemical Physics · Physics 2020-08-18 Bing Huang , O. Anatole von Lilienfeld

Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…

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

An atomic force microscope (AFM) is capable of producing ultra-high resolution measurements of nanoscopic objects and forces. It is an indispensable tool for various scientific disciplines such as molecular engineering, solid-state physics,…

Applications · Statistics 2017-06-28 Bryan Yates , Aleksander Labuda , Martin Lysy

The atomic force microscope (AFM) is a versatile, high-resolution tool used to characterize the topography and material properties of a large variety of specimens at nano-scale. The interaction of the micro-cantilever tip with the specimen…

Materials Science · Physics 2011-09-05 David Busch , Qingze Zou , Baskar Ganapathysubramanian