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Molecular dynamics is a valuable tool to probe biological processes at the atomistic level - a resolution often elusive to experiments. However, the credibility of molecular models is limited by the accuracy of the underlying force field,…

Chemical Physics · Physics 2025-11-10 Vojtech Kostal , Brennon L. Shanks , Pavel Jungwirth , Hector Martinez-Seara

Underwater explosions produce complex fluid phenomena relevant to diverse applications including maritime engineering, medical therapeutics, and inertial confinement fusion. These systems exhibit multiphase flows, chemical kinetics, and…

Fluid Dynamics · Physics 2025-07-02 Francis G. VanGessel , Mitul Pandya

Complex physical systems which exhibit fluid-like behavior are often modeled as non-Newtonian fluids. A crucial element of a non-Newtonian model is the rheology, which relates inner stresses with strain-rates. We propose a framework for…

Numerical Analysis · Mathematics 2026-04-28 Gonzalo G. de Diego , Georg Stadler

The deformation and break-up of Newtonian/viscoelastic droplets are studied in confined shear flow. Our numerical approach is based on a combination of Lattice-Boltzmann models (LBM) and finite difference schemes, the former used to model…

Soft Condensed Matter · Physics 2016-11-15 A. Gupta , M. Sbragaglia

While deep learning has shown tremendous success in a wide range of domains, it remains a grand challenge to incorporate physical principles in a systematic manner to the design, training, and inference of such models. In this paper, we aim…

Computational Physics · Physics 2020-06-16 Rui Wang , Karthik Kashinath , Mustafa Mustafa , Adrian Albert , Rose Yu

We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…

Machine Learning · Computer Science 2023-06-22 Kai Lagemann , Christian Lagemann , Sach Mukherjee

We discuss general 2-fluid hydrodynamic equations for complex fluids, where one kind is a simple Newtonian fluid, while the other is either liquid-crystalline or polymeric/elastomeric, thus being applicable to lyotropic liquid crystals,…

Soft Condensed Matter · Physics 2009-11-10 H. Pleiner , J. L. Harden

In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3D heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural…

Geophysics · Physics 2021-05-21 Bicheng Yan , Dylan Robert Harp , Bailian Chen , Rajesh Pawar

Differential equations based on physical principals are used to represent complex dynamic systems in all fields of science and engineering. Through repeated use in both academics and industry, these equations have been shown to represent…

Methodology · Statistics 2022-09-08 Joshua S. North , Christopher K. Wikle , Erin M. Schliep

Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…

Evolution of a suspension drop entrained by Poiseuille flow is studied numerically at a low Reynolds number. A suspension drop is modelled by a cloud of many non-touching particles, initially randomly distributed inside a spherical volume…

Fluid Dynamics · Physics 2015-05-18 Krzysztof Sadlej , Eligiusz Wajnryb , Maria L. Ekiel-Jeżewska

We consider the use of Deep Learning methods for modeling complex phenomena like those occurring in natural physical processes. With the large amount of data gathered on these phenomena the data intensive paradigm could begin to challenge…

Artificial Intelligence · Computer Science 2018-01-10 Emmanuel de Bezenac , Arthur Pajot , Patrick Gallinari

Many suspensions contain particles with complex shapes that are affected not only by hydrodynamics, but also by thermal fluctuations, internal kinematic constraints and other long-range non-hydrodynamic interactions. Modeling these systems…

Soft Condensed Matter · Physics 2025-07-31 Blaise Delmotte , Florencio Balboa Usabiaga

Physical learning is an emerging paradigm in science and engineering whereby (meta)materials acquire desired macroscopic behaviors by exposure to examples. So far, it has been applied to static properties such as elastic moduli and…

Although deep-learning has been successfully applied in a variety of science and engineering problems owing to its strong high-dimensional nonlinear mapping capability, it is of limited use in scientific knowledge discovery. In this work,…

Computational Physics · Physics 2021-11-19 Junsheng Zeng , Hao Xu , Yuntian Chen , Dongxiao Zhang

We consider the problem of forecasting complex, nonlinear space-time processes when observations provide only partial information of on the system's state. We propose a natural data-driven framework, where the system's dynamics are modelled…

Systems and Control · Computer Science 2019-03-01 Ibrahim Ayed , Emmanuel de Bézenac , Arthur Pajot , Julien Brajard , Patrick Gallinari

Scientific computing for large deformation of elastic-plastic solids is critical for numerous real-world applications. Classical numerical solvers rely primarily on local discrete linear approximation and are constrained by an inherent…

Machine Learning · Computer Science 2025-06-09 Shilong Tao , Zhe Feng , Haonan Sun , Zhanxing Zhu , Yunhuai Liu

Microfluidic devices manufactured from soft polymeric materials have emerged as a paradigm for cheap, disposable and easy-to-prototype fluidic platforms for integrating chemical and biological assays and analyses. The interplay between the…

Soft Condensed Matter · Physics 2021-11-25 Ivan C. Christov

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy,…

Machine Learning · Computer Science 2023-03-28 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto