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This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

Materials Science · Physics 2021-10-22 M. Amir Siddiq

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Machine Learning · Computer Science 2023-10-24 Shwetha Salimath , Francesca Bugiotti , Frederic Magoules

Despite decades of research, understanding human manipulation activities is, and has always been, one of the most attractive and challenging research topics in computer vision and robotics. Recognition and prediction of observed human…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Gamze Akyol , Sanem Sariel , Eren Erdal Aksoy

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…

Mesoscale and Nanoscale Physics · Physics 2013-10-16 Oleg V. Yazyev

A popular testbed for deep learning has been multimodal recognition of human activity or gesture involving diverse inputs such as video, audio, skeletal pose and depth images. Deep learning architectures have excelled on such problems due…

Neural and Evolutionary Computing · Computer Science 2017-07-05 Dhanesh Ramachandram , Michal Lisicki , Timothy J. Shields , Mohamed R. Amer , Graham W. Taylor

Motivated by the ever-improving performance of deep learning techniques, we design a mixed input convolutional neural network approach to predict transport properties in deformed nanoscale materials using a height map of deformations (from…

Mesoscale and Nanoscale Physics · Physics 2022-09-09 Jack G. Nedell , Jonah Spector , Adel Abbout , Michael Vogl , Gregory A. Fiete

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer

In recent years, there has been a growing interest in using machine learning to overcome the high cost of numerical simulation, with some learned models achieving impressive speed-ups over classical solvers whilst maintaining accuracy.…

Machine Learning · Computer Science 2022-10-04 Meire Fortunato , Tobias Pfaff , Peter Wirnsberger , Alexander Pritzel , Peter Battaglia

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Electromagnetic multipole expansion theory underpins nanoscale light-matter interactions, particularly within subwavelength meta-atoms, paving the way for diverse and captivating optical phenomena. While conventionally brute force…

Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is…

Mesoscale and Nanoscale Physics · Physics 2011-09-13 Oleg V. Yazyev , Rodrigo B. Capaz , Steven G. Louie

Making kirigami-inspired cuts into a sheet has been shown to be an effective way of designing stretchable materials with metamorphic properties where the 2D shape can transform into complex 3D shapes. However, finding the optimal solutions…

Computational Physics · Physics 2018-12-21 Paul Z. Hanakata , Ekin D. Cubuk , David K. Campbell , Harold S. Park

Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many machine learning models available for this purpose, those…

Machine Learning · Computer Science 2025-06-03 Gihan Panapitiya , Peiyuan Gao , C Mark Maupin , Emily G Saldanha

Due to a high rate of overall data generation relative to data generation of interest, the CMS experiment at the Large Hadron Collider uses a combination of hardware- and software-based triggers to select data for capture. Accurate momentum…

Data Analysis, Statistics and Probability · Physics 2026-03-10 Vishak K Bhat , Eric A. F. Reinhardt , Sergei Gleyzer

In context of the universal presence of defects in additively manufactured (AM) metals, efficient computational tools are required to rapidly screen AM microstructures for mechanical integrity. To this end, a deep learning approach is used…

Materials Science · Physics 2021-05-25 Brendan P. Croom , Michael Berkson , Robert K. Mueller , Michael Presley , Steven Storck

Machine learning (ML) entered the field of computational micromagnetics only recently. The main objective of these new approaches is the automatization of solutions of parameter-dependent problems in micromagnetism such as fast response…

Computational Physics · Physics 2021-07-15 Sebastian Schaffer , Norbert J. Mauser , Thomas Schrefl , Dieter Suess , Lukas Exl

Machine learning methods have nowadays become easy-to-use tools for constructing high-dimensional interatomic potentials with ab initio accuracy. Although machine learned interatomic potentials are generally orders of magnitude faster than…

Computational Physics · Physics 2021-02-24 Yaolong Zhang , Ce Hu , Bin Jiang

Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

Computational Engineering, Finance, and Science · Computer Science 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

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