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A key challenge in material theory is the formulation of models that satisfy all common mechanical constitutive conditions while retaining sufficient flexibility. In this context, several important modeling aspects remain unresolved for…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Dominik K. Klein , Karl A. Kalina , Rogelio Ortigosa , Jesús Martínez-Frutos , Markus Kästner , Oliver Weeger

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Materials Science · Physics 2025-11-07 Yujie Liu , Zhenyu Wang , Hang Lei , Guoyu Zhang , Jiawei Xian , Zhibin Gao , Jun Sun , Haifeng Song , Xiangdong Ding

Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To…

Mesoscale and Nanoscale Physics · Physics 2023-06-09 Anupam Bhattacharya , Ivan Timokhin , Ratnamala Chatterjee , Qian Yang , Artem Mishchenko

We construct a homogeneous, nonlinear elastic constitutive law, that models aspects of the mechanical behavior of inhomogeneous fibrin networks. Fibers in such networks buckle when in compression. We model this as a loss of stiffness in…

Biological Physics · Physics 2015-12-18 Phoebus Rosakis , Jacob Notbohm , Guruswami Ravichandran

In this study, we propose a predictive model composed of a recurrent neural network including parametric bias and stochastic elements, and an environmentally adaptive robot control method including variance minimization using the model.…

Robotics · Computer Science 2024-12-12 Kento Kawaharazuka , Koki Shinjo , Yoichiro Kawamura , Kei Okada , Masayuki Inaba

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Computational Physics · Physics 2016-08-02 Jeffrey M. McMahon

We present a physics informed deep neural network (DNN) method for estimating parameters and unknown physics (constitutive relationships) in partial differential equation (PDE) models. We use PDEs in addition to measurements to train DNNs…

In the last few years several ``universal'' interatomic potentials have appeared, using machine-learning approaches to predict energy and forces of atomic configurations with arbitrary composition and structure, with an accuracy often…

Artificial Neuronal Networks are models widely used for many scientific tasks. One of the well-known field of application is the approximation of high-dimensional problems via Deep Learning. In the present paper we investigate the Deep…

Numerical Analysis · Mathematics 2021-10-06 F. Calabrò , S. Cuomo , F. Giampaolo , S. Izzo , C. Nitsch , F. Piccialli , C. Trombetti

Many geologic materials have a composite structure, in which macroscopic mechanical behavior is determined by the properties, shape, and heterogeneous distribution of individual constituents. In particular, sedimentary rocks commonly…

Geophysics · Physics 2020-08-26 Shabnam J. Semnani , Joshua A. White

We introduce a physics-informed neural framework for modeling static and time-dependent galactic gravitational potentials. The method combines data-driven learning with embedded physical constraints to capture complex, small-scale features…

Astrophysics of Galaxies · Physics 2026-04-02 Charlotte Myers , Nathaniel Starkman , Lina Necib

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

Drawing inspiration from the domain of image super-resolution, we view the electron density as a 3D grayscale image and use a convolutional residual network to transform a crude and trivially generated guess of the molecular density into an…

Chemical Physics · Physics 2025-07-30 Chenghan Li , Or Sharir , Shunyue Yuan , Garnet K. Chan

Analyzing and modeling the constitutive behavior of materials is a core area in materials sciences and a prerequisite for conducting numerical simulations in which the material behavior plays a central role. Constitutive models have been…

Materials Science · Physics 2023-08-07 Johannes Dornheim , Lukas Morand , Hemanth Janarthanam Nallani , Dirk Helm

We present a neural network approach for fast evaluation of parameter-dependent polyconvex envelopes, which are crucial in computational mechanics. Our method uses a neural network architecture that inherently encodes polyconvexity in the…

Numerical Analysis · Mathematics 2025-04-11 Loïc Balazi , Timo Neumeier , Malte A. Peter , Daniel Peterseim

Physics-informed neural networks have emerged as an alternative method for solving partial differential equations. However, for complex problems, the training of such networks can still require high-fidelity data which can be expensive to…

Machine Learning · Computer Science 2023-03-28 Wenqian Chen , Panos Stinis

We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…

Magneto-active elastomers exhibit large, nonlinear deformations under combined mechanical loading and magnetic fields, and their effective behavior is strongly governed by microstructural heterogeneity. Predictive modeling of these…

Computational Engineering, Finance, and Science · Computer Science 2026-03-30 L. River Spencer , Manuel K. Rausch , Chad M. Landis , Jan N. Fuhg

The reliability of machine learning in multiscale physical systems depends on how physical structure is embedded into the learning process. We investigate this in the context of turbulent multiphase flows, focusing on the prediction of…

Computational Physics · Physics 2026-05-01 Anirban Bhattacharjee , Luis H. Hatashita , Suhas S. Jain

High-fidelity full-field micro-mechanical modeling of the non-linear path-dependent materials demands a substantial computational effort. Recent trends in the field incorporates data-driven Artificial Neural Networks (ANNs) as surrogate…

Materials Science · Physics 2023-11-27 Hon Lam Cheung , Petter Uvdal , Mohsen Mirkhalaf