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We use machine learning to enable large-scale molecular dynamics (MD) of a correlated electron model under the Gutzwiller approximation scheme. This model exhibits a Mott transition as a function of on-site Coulomb repulsion $U$. The…

Strongly Correlated Electrons · Physics 2019-04-17 Hidemaro Suwa , Justin S. Smith , Nicholas Lubbers , Cristian D. Batista , Gia-Wei Chern , Kipton Barros

We study the performance of long short-term memory networks (LSTMs) and neural ordinary differential equations (NODEs) in learning latent-space representations of dynamical equations for an advection-dominated problem given by the viscous…

Computational Physics · Physics 2020-02-26 Romit Maulik , Arvind Mohan , Bethany Lusch , Sandeep Madireddy , Prasanna Balaprakash , Daniel Livescu

We develop a new effective approximation of the Mori-Zwanzig equation based on operator series expansions of the orthogonal dynamics propagator. In particular, we study the Faber series, which yields asymptotically optimal approximations…

Mathematical Physics · Physics 2018-01-12 Yuanran Zhu , Daniele Venturi

We propose a structure-preserving scheme for a hybrid model that couples the time-dependent Ginzburg-Landau (TDGL) equation of superconducting vortex dynamics and the nonlinear Bardeen-Cooper-Schrieffer (BCS) gap equation. This formulation…

Numerical Analysis · Mathematics 2026-01-19 Boyi Wang , Saurav Shenoy , Daniel Fortino , Long-Qing Chen , Wenrui Hao

We propose a Machine Learning (ML) non-Markovian closure modeling framework for accurate predictions of statistical responses of turbulent dynamical systems subjected to external forcings. One of the difficulties in this statistical closure…

Computational Physics · Physics 2022-10-12 Di Qi , John Harlim

An adjoint-based variational optimal mixed model (VOMM) is proposed for subgrid-scale (SGS) closure in large-eddy simulation (LES) of turbulence. The stabilized adjoint LES equations are formulated by introducing a minimal regularization to…

Fluid Dynamics · Physics 2023-07-19 Zelong Yuan , Yunpeng Wang , Xiaoning Wang , Jianchun Wang

A long-standing obstacle in the use of machine-learnt surrogates with larger PDE systems is the onset of instabilities when solved numerically. Efforts towards ameliorating these have mostly concentrated on improving the accuracy of the…

Numerical Analysis · Mathematics 2025-10-27 Saad Qadeer , Panos Stinis , Hui. Wan

In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…

Fluid Dynamics · Physics 2025-07-14 Yannick Gachnang , Vismay Churiwala

We address three two-dimensional magnetohydrodynamics models: reduced magnetohydrodynamics (RMHD), Hazeltine's model, and the Charney--Hasegawa--Mima (CHM) equation. These models are derived to capture the basic features of…

Plasma Physics · Physics 2026-02-11 Klas Modin , Michael Roop

In this work, we present a localized form of the dynamic eddy viscosity model for computationally efficient and accurate simulation of the turbulent flows governed by Euler equations. In our framework, we determine the dynamic model…

Fluid Dynamics · Physics 2018-10-04 Sk. Mashfiqur Rahman , Omer San

Multiscale dynamics are frequently present in real-world processes, such as the atmosphere-ocean and climate science. Because of time scale separation between a small set of slowly evolving variables and much larger set of rapidly changing…

Dynamical Systems · Mathematics 2016-04-08 Rafail V. Abramov

This thesis explores the evolution of liquid-state theories based on the Ornstein-Zernike (OZ) equation, summarizing the foundational methods developed by Baxter, Lebowitz, Wertheim, and others. A unifying feature of these approaches is…

Mathematical Physics · Physics 2026-04-07 Jianzhong Wu

Multiscale dynamics are ubiquitous in applications of modern science. Because of time scale separation between relatively small set of slowly evolving variables and (typically) much larger set of rapidly changing variables, direct numerical…

Dynamical Systems · Mathematics 2016-04-08 Rafail V. Abramov

Mesoscale eddies produce lateral (2D) fluxes that need to be parameterized in eddy-permitting (1/4-degree) global ocean models due to insufficient horizontal resolution. Here, we systematically apply methods from the 3D LES community to…

Atmospheric and Oceanic Physics · Physics 2025-01-10 Pavel Perezhogin , Arun Balakrishna , Rahul Agrawal

There is growing interest in discovering interpretable, closed-form equations for subgrid-scale (SGS) closures/parameterizations of complex processes in Earth systems. Here, we apply a common equation-discovery technique with expansive…

Fluid Dynamics · Physics 2024-07-09 Karan Jakhar , Yifei Guan , Rambod Mojgani , Ashesh Chattopadhyay , Pedram Hassanzadeh

Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…

Dynamical Systems · Mathematics 2023-11-14 Thomas Hudson , Xingjie Helen Li

The 2D Euler equations are a simple but rich set of non-linear PDEs that describe the evolution of an ideal inviscid fluid, for which one dimension is negligible. Solving numerically these equations can be extremely demanding. Several…

Numerical Analysis · Mathematics 2023-01-18 Paolo Cifani , Sagy Ephrati , Milo Viviani

Multi-stage stochastic optimization is a well-known quantitative tool for decision-making under uncertainty. It is broadly used in financial and investment planning, inventory control, and also natural disaster risk management. Theoretical…

Optimization and Control · Mathematics 2025-08-27 Anna Timonina-Farkas

We propose a high-order stochastic-statistical moment closure model for efficient ensemble prediction of leading-order statistical moments and probability density functions in multiscale complex turbulent systems. The statistical moment…

Numerical Analysis · Mathematics 2023-06-21 Di Qi , Jian-Guo Liu

Realistic models of biological processes typically involve interacting components on multiple scales, driven by changing environment and inherent stochasticity. Such models are often analytically and numerically intractable. We revisit a…

Populations and Evolution · Quantitative Biology 2022-01-19 K. Bodova , E. Szep , N. H. Barton
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