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The nature of the atomic defects on the hydrogen passivated Si (100) surface is analyzed using deep learning and scanning tunneling microscopy (STM). A robust deep learning framework capable of identifying atomic species, defects, in the…

Materials Science · Physics 2020-02-19 Maxim Ziatdinov , Udi Fuchs , James H. G. Owen , John N. Randall , Sergei V. Kalinin

Two-dimensional (2D) materials have emerged as a versatile and powerful platform for quantum technologies, offering atomic-scale control, strong quantum confinement, and seamless integration into heterogeneous device architectures. Their…

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

Chemical Physics · Physics 2021-02-12 Navid Shervani-Tabar , Nicholas Zabaras

A growing need exists for efficient and accurate methods for detecting defects in semiconductor materials and devices. These defects can have a detrimental impact on the efficiency of the manufacturing process, because they cause critical…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Thibault Lechien , Enrique Dehaerne , Bappaditya Dey , Victor Blanco , Sandip Halder , Stefan De Gendt , Wannes Meert

The prediction of upcoming events in industrial processes has been a long-standing research goal since it enables optimization of manufacturing parameters, planning of equipment maintenance and more importantly prediction and eventually…

Computer Vision and Pattern Recognition · Computer Science 2020-02-26 Nikolaos Dimitriou , Lampros Leontaris , Thanasis Vafeiadis , Dimosthenis Ioannidis , Tracy Wotherspoon , Gregory Tinker , Dimitrios Tzovaras

Nanoelectronic devices embedded in the two-dimensional electron system (2DES) of a GaAs/AlGaAs heterostructure enable a large variety of applications from fundamental research to high speed transistors. Electrical circuits are thereby…

Mesoscale and Nanoscale Physics · Physics 2017-12-20 N. Bachsoliani , S. Platonov , A. D. Wieck , S. Ludwig

An outstanding challenge in chemical computation is the many-electron problem where computational methodologies scale prohibitively with system size. The energy of any molecule can be expressed as a weighted sum of the energies of…

Chemical Physics · Physics 2023-01-03 LeeAnn M. Sager-Smith , David A. Mazziotti

Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…

We present a non-destructive beam profile imaging concept that utilizes machine learning tools, namely genetic algorithm with a gradient descent-like minimization. Electromagnetic fields around a charged beam carry information about its…

Instrumentation and Detectors · Physics 2021-11-29 Zhanibek Omarov , Selcuk Haciomeroglu

2D materials offer an ideal platform to study the strain fields induced by individual atomic defects, yet challenges associated with radiation damage have so-far limited electron microscopy methods to probe these atomic-scale strain fields.…

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

The use of machine learning techniques has significantly increased the physics discovery potential of neutrino telescopes. In the upcoming years, we are expecting upgrade of currently existing detectors and new telescopes with novel…

High Energy Physics - Experiment · Physics 2023-11-10 Miaochen Jin , Yushi Hu , Carlos A. Argüelles

Solving electronic structure problems represents a promising field of application for quantum computers. Currently, much effort has been spent in devising and optimizing quantum algorithms for quantum chemistry problems featuring up to…

Scalable quantum technologies will present challenges for characterizing and tuning quantum devices. This is a time-consuming activity, and as the size of quantum systems increases, this task will become intractable without the aid of…

Structural flexibility and/or dynamic interactions with other molecules is a critical aspect of protein function. CryoEM provides direct visualization of individual macromolecules sampling different conformational and compositional states.…

Biomolecules · Quantitative Biology 2021-08-04 Muyuan Chen , Steven Ludtke

Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Jiaxu Wang , Jingkai Sun , Junhao He , Ziyi Zhang , Qiang Zhang , Mingyuan Sun , Renjing Xu

This article reveals the future prospects of quantum algorithms in high energy physics (HEP). Particle identification, knowing their properties and characteristics is a challenging problem in experimental HEP. The key technique to solve…

Quantum Physics · Physics 2020-11-24 Kapil K. Sharma

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

Solar photovoltaic (PV) modules are prone to damage during manufacturing, installation and operation which reduces their power conversion efficiency. This diminishes their positive environmental impact over the lifecycle. Continuous…

Computer Vision and Pattern Recognition · Computer Science 2025-08-04 Swayam Rajat Mohanty , Moin Uddin Maruf , Vaibhav Singh , Zeeshan Ahmad

In this paper, we propose SGEM, Stochastic Gradient with Energy and Momentum, to solve a large class of general non-convex stochastic optimization problems, based on the AEGD method that originated in the work [AEGD: Adaptive Gradient…

Machine Learning · Computer Science 2022-08-04 Hailiang Liu , Xuping Tian