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Atomistic foundation models (AFMs) have great promise as accurate interatomic potentials, and have enabled data-efficient molecular dynamics simulations with near quantum mechanical accuracy. However, AFMs remain markedly slower at…

Materials Science · Physics 2025-09-29 Lingyu Kong , Jaeheon Shim , Guoxiang Hu , Victor Fung

The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…

Background: The inception of next generations sequencing technologies have exponentially increased the volume of biological sequence data. Protein sequences, being quoted as the `language of life', has been analyzed for a multitude of…

Quantitative Methods · Quantitative Biology 2020-12-08 Nabil Ibtehaz , S. M. Shakhawat Hossain Sourav , Md. Shamsuzzoha Bayzid , M. Sohel Rahman

Cryo-electron microscopy (cryo-EM) remains pivotal in structural biology, yet the task of protein particle picking, integral for 3D protein structure construction, is laden with manual inefficiencies. While recent AI tools such as Topaz and…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Fei He , Zhiyuan Yang , Mingyue Gao , Biplab Poudel , Newgin Sam Ebin Sam Dhas , Rajan Gyawali , Ashwin Dhakal , Jianlin Cheng , Dong Xu

The use of photo-activated fluorescent molecules to create long sequences of low emitter-density diffraction-limited images enables high-precision emitter localization, but at the cost of low temporal resolution. We suggest combining…

Image and Video Processing · Electrical Eng. & Systems 2023-07-19 Gili Dardikman-Yoffe , Yonina C. Eldar

Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…

Mesoscale and Nanoscale Physics · Physics 2017-11-08 Carmen P érez León , Holger Drees , Stefan Martin Wippermann , Michael Marz , Regina Hoffmann-Vogel

A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…

Materials Science · Physics 2015-01-20 Wei Luo , Yanming Ma , Xingao Gong , Hongjun Xiang

We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new representation of protein structure, relies on a novel…

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

Liquid structure at solid-liquid interfaces is critical for many natural and engineered processes ranging from biological signal transduction to electrochemical energy conversion. Advanced experimental and computational methods have…

Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer…

Machine Learning · Computer Science 2023-10-09 Chen Dun , Qiutai Pan , Shikai Jin , Ria Stevens , Mitchell D. Miller , George N. Phillips, , Anastasios Kyrillidis

Capturing intricate biological phenomena often requires multiscale modeling where coarse and inexpensive models are developed using limited components of expensive and high-fidelity models. Here, we consider such a multiscale framework in…

Quantitative Methods · Quantitative Biology 2022-07-12 Konstantia Georgouli , Helgi I Ingólfsson , Fikret Aydin , Mark Heimann , Felice C Lightstone , Peer-Timo Bremer , Harsh Bhatia

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

The packaging of genetic material within a protein shell, called the capsid, marks a pivotal step in the life cycle of numerous single-stranded RNA viruses. Understanding how hundreds, or even thousands, of proteins assemble around the…

Biological Physics · Physics 2024-09-04 Siyu Li , Guillaume Tresset , Roya Zandi

Characterizing the tissue morphology and anatomy of seagrasses is essential to predicting their acoustic behavior. In this pilot study, we use histology techniques and whole slide imaging (WSI) to describe the composition and topology of…

Tissues and Organs · Quantitative Biology 2019-03-12 Olivier Debeir , Justine Allard , Christine Decaestecker , Jean-Pierre Hermand

With recent text-to-image models, anyone can generate deceptively realistic images with arbitrary contents, fueling the growing threat of visual disinformation. A key enabler for generating high-resolution images with low computational cost…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Jonas Ricker , Denis Lukovnikov , Asja Fischer

Self-limiting assembly of particles represents the state-of-the-art controllability in nanomanufacturing processes where the assembly stops at a designated stage1,2, providing a desirable platform for applications requiring delicate…

Atomic and Molecular Clusters · Physics 2021-11-02 Liang Zhao , Bchara Sidnawi , Jichao Fan , Ruiyang Chen , Thomas Scully , Scott Dietrich , Weilu Gao , Qianhong Wu , Bo Li

Aims. We aim to detect molecules in the atmosphere of the young forming companion PDS70 b by searching for atmospheric absorption features typical of substellar objects. Methods. We obtained medium-resolution (R$\approx$5075) spectra of the…

Earth and Planetary Astrophysics · Physics 2021-09-01 G. Cugno , P. Patapis , T. Stolker , S. P. Quanz , A. Boehle , H. J. Hoeijmakers , G. -D. Marleau , P. Mollière , E. Nasedkin , I. A. G. Snellen

Scanning electron microscopy (SEM) is indispensable in diverse applications ranging from microelectronics to food processing because it provides large depth-of-field images with a resolution beyond the optical diffraction limit. However,…

Atomic force microscopy (AFM) is a key tool for characterising nanoscale structures, with functionalised tips now offering detailed images of the atomic structure. In parallel, AFM simulations using the particle probe model provide a…

Materials Science · Physics 2025-09-03 Jie Huang , Niko Oinonen , Fabio Priante , Filippo Federici Canova , Lauri Kurki , Chen Xu , Adam S. Foster
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