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By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for…

Chemical Physics · Physics 2026-03-27 Sander Hummerich , Tristan Bereau , Ullrich Köthe

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Soft Condensed Matter · Physics 2017-09-13 Congcong Huang , K. T. Wikfeldt , D. Nordlund , U. Bergmann , T. McQueen , J. Sellberg , L. G. M. Pettersson , A. Nilsson

For computational acoustics, schemes need to have low-dispersion and low-dissipation properties in order to capture the amplitude and phase of the wave correctly. To improve the spectral properties of the scheme, the authors have previously…

Computational Physics · Physics 2021-11-15 Y. H. Li , Y. X. Ren , Y. T. Su

The gradient discretisation method (GDM) is a generic framework for designing and analysing numerical schemes for diffusion models. In this paper, we study the GDM for the porous medium equation, including fast diffusion and slow diffusion…

Numerical Analysis · Mathematics 2020-04-02 Jerome Droniou , Kim-Ngan Le

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Coarse graining is an important ingredient in many multi-scale continuum-discrete solvers such as CFD--DEM (computational fluid dynamics--discrete element method) solvers for dense particle-laden flows. Although CFD--DEM solvers have become…

Computational Physics · Physics 2015-08-14 Rui Sun , Heng Xiao

We present a coarse-graining strategy for reducing the number of particle species in mixtures to achieve a simpler system with higher diffusion while preserving the total particle number and characteristic dynamic features. As a system of…

Soft Condensed Matter · Physics 2020-09-16 Thomas Heinemann , YounJoon Jung

In this paper, we introduce a novel approach that combines multiresolution (MR) techniques with the flux reconstruction (FR) method to accurately and effciently simulate compressible flows. We achieve further enhancements in effciency…

Fluid Dynamics · Physics 2023-06-21 Yixuan Lian , Jinsheng Cai , Shucheng Pan

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

A dynamic mixed super-resolution model (DMSRM) for large-eddy simulations (LESs) is proposed, which combines the traditional dynamic mixed model (DMM) formulation with the generation of super-resolved velocity fields from which the…

Water distribution systems (WDSs) are an important part of critical infrastructure becoming increasingly significant in the face of climate change and urban population growth. We propose a robust and scalable surrogate deep learning (DL)…

Neural and Evolutionary Computing · Computer Science 2025-02-19 Inaam Ashraf , André Artelt , Barbara Hammer

In recent years, pre-trained multimodal large models have attracted widespread attention due to their outstanding performance in various multimodal applications. Nonetheless, the extensive computational resources and vast datasets required…

Computer Vision and Pattern Recognition · Computer Science 2024-04-18 Zhengyang Liang , Meiyu Liang , Wei Huang , Yawen Li , Zhe Xue

Dynamic Mode Decomposition (DMD) is a powerful data-driven method used to extract spatio-temporal coherent structures that dictate a given dynamical system. The method consists of stacking collected temporal snapshots into a matrix and…

Machine Learning · Computer Science 2021-05-11 Gabriel F. Barros , Malú Grave , Alex Viguerie , Alessandro Reali , Alvaro L. G. A. Coutinho

Dataset distillation (DD) aims to compress large-scale datasets into compact synthetic sets while preserving training efficacy. However, existing studies mainly focus on image classification, leaving dense prediction tasks such as semantic…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Wenjie Zheng , Haoji Hu , Jiali Lu , Xingze Zou , Jing Wang

Active diffusiophoresis - swimming through interaction with a self-generated, neutral, solute gradient - is a paradigm for autonomous motion at the micrometer scale. We study this propulsion mechanism within a linear response theory.…

Statistical Mechanics · Physics 2015-05-30 Benedikt Sabass , Udo Seifert

We analyze the mixed frame equations of radiation hydrodynamics under the approximations of flux-limited diffusion and a thermal radiation field, and derive the minimal set of evolution equations that includes all terms that are of leading…

Astrophysics · Physics 2009-11-11 Mark R. Krumholz , Richard I. Klein , Christopher F. McKee , John Bolstad

We study an approach to simulating the stochastic relativistic advection-diffusion equation based on the Metropolis algorithm. We show that the dissipative dynamics of the boosted fluctuating fluid can be simulated by making random…

Nuclear Theory · Physics 2025-02-18 Gokce Basar , Jay Bhambure , Rajeev Singh , Derek Teaney

Radiative transfer plays a key role in the star formation process. Due to a high computational cost, radiation-hydrodynamics simulations performed up to now have mainly been carried out in the grey approximation. In recent years,…

Instrumentation and Methods for Astrophysics · Physics 2015-05-27 Matthias González , Neil Vaytet , Benoît Commerçon , Jacques Masson

Diffusion models achieve great success in generating diverse and high-fidelity images, yet their widespread application, especially in real-time scenarios, is hampered by their inherently slow generation speed. The slow generation stems…

Computer Vision and Pattern Recognition · Computer Science 2024-08-19 Shengkun Tang , Yaqing Wang , Caiwen Ding , Yi Liang , Yao Li , Dongkuan Xu

[ This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in The Journal of Chemical Physics, 157, 024504 (2022) and may be found at:…

Chemical Physics · Physics 2022-07-14 Daniel Muñoz-Santiburcio