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Molecular dynamics (MD) simulations are widely used to study biological systems, where water molecules often play a critical role in protein-ligand interactions. In conventional MD preparation protocols, water molecules are typically added…

Chemical Physics · Physics 2026-04-30 Felipe Silva Carvalho , Steven Ramsey , Tom Kurtzman , Tyler Luchko

Efficiently and accurately simulating partial differential equations (PDEs) in and around arbitrarily defined geometries, especially with high levels of adaptivity, has significant implications for different application domains. A key…

We have developed a method of solving for multi-species chemical reaction flows in non--equilibrium and self--consistently with the hydrodynamic equations in an expanding FLRW universe. The method is based on a backward differencing scheme…

Astrophysics · Physics 2009-10-28 Peter Anninos , Yu Zhang , Tom Abel , Michael L. Norman

Partial Differential Equations (PDEs) are fundamental tools for modeling physical phenomena, yet most PDEs of practical interest cannot be solved analytically and require numerical approximations. The feasibility of such numerical methods,…

Numerical Analysis · Mathematics 2025-12-03 Juan Esteban Suarez Cardona , Holger Boche , Gitta Kutyniok

Recent years have seen an increasing amount of research devoted to the development of so-called resonance-based methods for dispersive nonlinear partial differential equations. In many situations, this new class of methods allows for…

Numerical Analysis · Mathematics 2024-07-22 Georg Maierhofer , Katharina Schratz

Conditioning diffusion and flow models have proven effective for super-resolving small-scale details in natural images.However, in physical sciences such as weather, super-resolving small-scale details poses significant challenges due to:…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Stathi Fotiadis , Noah Brenowitz , Tomas Geffner , Yair Cohen , Michael Pritchard , Arash Vahdat , Morteza Mardani

Multiscale and multiphysics problems need novel numerical methods in order for them to be solved correctly and predictively. To that end, we develop a wavelet based technique to solve a coupled system of nonlinear partial differential…

Numerical Analysis · Mathematics 2023-03-22 Cale Harnish , Luke Dalessandro , Karel Matous , Daniel Livescu

In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…

Numerical Analysis · Mathematics 2017-01-19 Anaïs Crestetto , Nicolas Crouseilles , Mohammed Lemou

We develop numerical methods for reaction-diffusion systems based on the equations of fluctuating hydrodynamics (FHD). While the FHD formulation is formally described by stochastic partial differential equations (SPDEs), it becomes similar…

Fluid Dynamics · Physics 2018-01-17 Changho Kim , Andy Nonaka , John B. Bell , Alejandro L. Garcia , Aleksandar Donev

The computational complexity of classical numerical methods for solving Partial Differential Equations (PDE) scales significantly as the resolution increases. As an important example, climate predictions require fine spatio-temporal…

Machine Learning · Computer Science 2022-10-12 Oussama Boussif , Dan Assouline , Loubna Benabbou , Yoshua Bengio

Deep neural networks have recently achieved significant advancements in remote sensing superresolu-tion (SR). However, most existing methods are limited to low magnification rates (e.g., 2 or 4) due to the escalating ill-posedness at higher…

Image and Video Processing · Electrical Eng. & Systems 2024-12-30 Yue Shi , Liangxiu Han , Darren Dancy , Lianghao Han

Machine learning based partial differential equations (PDEs) solvers have received great attention in recent years. Most progress in this area has been driven by deep neural networks such as physics-informed neural networks (PINNs) and…

Numerical Analysis · Mathematics 2025-09-23 Chunyang Liao

In several recent works \cite{Causley2013a}, \cite{Causley2013}, we developed a new second order, A-stable approach to wave propagation problems based on the method of lines transpose (MOL$^T$) formulation combined with alternating…

Numerical Analysis · Mathematics 2013-08-15 Matthew F. Causley , Andrew J. Christlieb

The Residual Smooting Scheme (RSS) have been introduced in \cite{AverbuchCohenIsraeli} as a backward Euler's method with a simplified implicit part for the solution of parabolic problems. RSS have stability properties comparable to those of…

Numerical Analysis · Mathematics 2015-06-24 Brachet Matthieu , Chehab Jean-Paul

The computational cost of fluid simulations increases rapidly with grid resolution. This has given a hard limit on the ability of simulations to accurately resolve small scale features of complex flows. Here we use a machine learning…

Computational Physics · Physics 2021-06-23 Jiawei Zhuang , Dmitrii Kochkov , Yohai Bar-Sinai , Michael P. Brenner , Stephan Hoyer

In this paper we prove the existence and uniqueness of maximal strong (in PDE sense) solution to several stochastic hydrodynamical systems on unbounded and bounded domains of $\mathbb{R}^n$, $n=2,3$. This maximal solution turns out to be a…

Probability · Mathematics 2014-07-23 Hakima Bessaih , Erika Hausenblas , Paul Razafimandimby

We highlight some of the interesting properties of a new and finite, exact family of solutions of 1 + 1 dimensional perfect fluid relativistic hydrodynamics. After reviewing the main properties of this family of solutions, we present the…

Nuclear Theory · Physics 2019-06-27 T. Csorgo , G. Kasza , M. Csanad , Z. F. Jiang

A number of physical processes in laser-plasma interaction can be described with the two-fluid plasma model. We report on a solver for the three-dimensional two-fluid plasma model equations. This solver is particularly suited for simulating…

Plasma Physics · Physics 2021-02-26 B. Morel , R. Giust , K. Ardaneh , F Courvoisier

In this paper, we introduce a new nonlinear evolution partial differential equation for sparse deconvolution problems. The proposed PDE has the form of continuity equation that arises in various research areas, e.g. fluid dynamics and…

Optimization and Control · Mathematics 2011-04-04 Yu Mao , Bin Dong , Stanley Osher

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each…

Machine Learning · Computer Science 2025-02-06 Anthony Zhou , Zijie Li , Michael Schneier , John R Buchanan , Amir Barati Farimani
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