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We curate a large-scale dataset of low frequency dielectric anisotropy values for low molecular weight liquid crystals. Using this dataset, we demonstrate that supervised machine-learning models can predict dielectric anisotropy with…

Soft Condensed Matter · Physics 2026-02-20 Charles Parton-Barr , Richard J. Mandle

Tactile texture refers to the tangible feel of a surface and visual texture refers to see the shape or contents of the image. In the image processing, the texture can be defined as a function of spatial variation of the brightness intensity…

Computer Vision and Pattern Recognition · Computer Science 2019-04-16 Laleh Armi , Shervan Fekri-Ershad

In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…

Materials Science · Physics 2016-02-02 François-Xavier Coudert , Alain H. Fuchs

We recently developed a deep learning method that can determine the critical peak stress of a material by looking at scanning electron microscope (SEM) images of the material's crystals. However, it has been somewhat unclear what kind of…

Image and Video Processing · Electrical Eng. & Systems 2021-11-09 Ian A. Palmer , T. Nathan Mundhenk , Brian Gallagher , Yong Han

Many tools and techniques measure local structure in materials in contexts ranging from biology to geology. We provide a survey of those tools and metrics that are especially useful for analyzing particulate soft matter. The metrics we…

Soft Condensed Matter · Physics 2026-01-13 Rachael S. Skye , Erin G. Teich

Sessile drying droplets manifest distinct morphological patterns, encompassing diverse systems viz., DNA, proteins, blood, and protein-liquid crystal (LC) complexes. This study employs an integrated methodology that combines drying droplet,…

Soft Condensed Matter · Physics 2024-01-23 Anusuya Pal , Amalesh Gope

According to excess-entropy scaling, dynamic properties of liquids like viscosity and diffusion coefficient are determined by the entropy. This link between dynamics and thermodynamics is increasingly studied and of interest also for…

Soft Condensed Matter · Physics 2024-08-13 Ian M. Douglass , Jeppe C. Dyre , Lorenzo Costigliola

We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to…

Materials Science · Physics 2024-02-15 Ethan P. Shapera , Dejan-Krešimir Bučar , Rohit P. Prasankumar , Christoph Heil

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational…

Disordered Systems and Neural Networks · Physics 2024-02-12 Paolo Pegolo , Federico Grasselli

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…

Computational Physics · Physics 2025-09-03 Flaviano Della Pia , Benjamin X. Shi , Venkat Kapil , Andrea Zen , Dario Alfè , Angelos Michaelides

Machine learning (ML) is becoming increasingly popular for predicting material properties to accelerate materials discovery. Because material properties are strongly affected by its crystal structure, a key issue is converting the crystal…

Materials Science · Physics 2023-10-12 Hirofumi Tsuruta , Yukari Katsura , Masaya Kumagai

Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…

Materials Science · Physics 2025-04-29 Sumitava Kundu , Kaustav Chakraborty , Avisek Das

We investigate theoretically the wetting properties of cholesteric liquid crystals at a planar substrate. If the properties of substrate and of the interface are such that the cholesteric layers are not distorted the wetting properties are…

Structural defects control the kinetic, thermodynamic and mechanical properties of glasses. For instance, rare quantum tunneling two-level systems (TLS) govern the physics of glasses at very low temperature. Because of their extremely low…

Disordered Systems and Neural Networks · Physics 2023-07-19 Simone Ciarella , Dmytro Khomenko , Ludovic Berthier , Felix C. Mocanu , David R. Reichman , Camille Scalliet , Francesco Zamponi

Humans rely on properties of the materials that make up objects to guide our interactions with them. Grasping smooth materials, for example, requires care, and softness is an ideal property for fabric used in bedding. Even when these…

Computer Vision and Pattern Recognition · Computer Science 2018-01-11 Gabriel Schwartz , Ko Nishino

Texture-based studies and designs have been in focus recently. Whisker-based multidimensional surface texture data is missing in the literature. This data is critical for robotics and machine perception algorithms in the classification and…

Signal Processing · Electrical Eng. & Systems 2022-09-09 Prasanna Kumar Routray , Aditya Sanjiv Kanade , Pauline Pounds , Manivannan Muniyandi

Shape from texture refers to the extraction of 3D information from 2D images with irregular texture. This paper introduces a statistical framework to learn shape from texture where convex texture elements in a 2D image are represented…

Fast prediction of permeability directly from images enabled by image recognition neural networks is a novel pore-scale modeling method that has a great potential. This article presents a framework that includes (1) generation of porous…

Computational Physics · Physics 2018-09-11 Jin-Long Wu , Xiao-Long Yin , Heng Xiao

In order to utilize identification to the best extent, we need robust and fast algorithms and systems to process the data. Having palmprint as a reliable and unique characteristic of every person, we extract and use its features based on…

Computer Vision and Pattern Recognition · Computer Science 2015-02-13 Shervin Minaee , AmirAli Abdolrashidi