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Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…

Computational Physics · Physics 2024-03-12 Mauricio J. del Razo , Daan Crommelin , Peter G. Bolhuis

This paper presents a novel p-adaptive, high-order mesh-free framework for the accurate and efficient simulation of fluid flows in complex geometries. High-order differential operators are constructed locally for arbitrary node…

Numerical Analysis · Mathematics 2025-11-27 Ruofeng Feng , Jack R. C. King , Steven J. Lind

This work presents a variational physics-informed deep learning framework for phase-field modelling of brittle crack propagation in anisotropic media. Previous Deep Ritz Method (DRM) approaches have focused on second-order, isotropic…

Computational Physics · Physics 2026-04-15 N. Plungė , P. Brommer , R. S. Edwards , E. G. Kakouris

Supervised dimensionality reduction strategies have been of great interest. However, current supervised dimensionality reduction approaches are difficult to scale for situations characterized by large datasets given the high computational…

Machine Learning · Computer Science 2018-11-09 Amir-Hossein Karimi , Alexander Wong , Ali Ghodsi

We present a high-order method for flow simulation on unstructured curved nonconforming sliding meshes. This method utilizes dynamic transfinite mortar elements to exchange flow information between the two sides of a sliding interface. The…

Numerical Analysis · Mathematics 2021-07-28 Bin Zhang , Chunlei Liang

In this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics. The hybrid ROM framework is based on…

Computational Physics · Physics 2020-04-22 Suraj Pawar , Shady E. Ahmed , Omer San , Adil Rasheed

Recent modern displays are now able to render high dynamic range (HDR), high resolution (HR) videos of up to 8K UHD (Ultra High Definition). Consequently, UHD HDR broadcasting and streaming have emerged as high quality premium services.…

Image and Video Processing · Electrical Eng. & Systems 2019-09-04 Soo Ye Kim , Jihyong Oh , Munchurl Kim

Projection-based model reduction has become a popular approach to reduce the cost associated with integrating large-scale dynamical systems so they can be used in many-query settings such as optimization and uncertainty quantification. For…

Numerical Analysis · Mathematics 2020-08-26 Han Gao , Jian-Xun Wang , Matthew J. Zahr

The oversampling multiscale finite element method (MsFEM) is one of the most popular methods for simulating composite materials and flows in porous media which may have many scales. But the method may be inapplicable or inefficient in some…

Numerical Analysis · Mathematics 2012-11-16 Weibing Deng , Haijun Wu

A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…

Statistical Mechanics · Physics 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

We present a new approach for achieving high-order convergence in fully general-relativistic hydrodynamic simulations. The approach is implemented in WhiskyTHC, a new code that makes use of state-of-the-art numerical schemes and was key in…

General Relativity and Quantum Cosmology · Physics 2014-03-11 David Radice , Luciano Rezzolla , Filippo Galeazzi

We introduce CRASH-AMR, a new version of the cosmological Radiative Transfer (RT) code CRASH, enabled to use refined grids. This new feature allows us to attain higher resolution in our RT simulations and thus to describe more accurately…

Cosmology and Nongalactic Astrophysics · Physics 2017-02-01 N. Hariharan , L. Graziani , B. Ciardi , F. Miniati , H. -J. Bungartz

It is of great concern to produce numerically efficient methods for moisture diffusion through porous media, capable of accurately calculate moisture distribution with a reduced computational effort. In this way, model reduction methods are…

Computational Physics · Physics 2020-02-20 Suelen Gasparin , Julien Berger , Denys Dutykh , Nathan Mendes

A multiscale numerical solver called the seamless-domain method (SDM) is used in linear heat conduction analysis of nonperiodic simulated fields. The practical feasibility of the SDM has been verified for use with periodic fields but has…

Numerical Analysis · Mathematics 2019-12-18 Yoshiro Suzuki

We examine the use of a two-level deflation preconditioner combined with GMRES to locally solve the subdomain systems arising from applying domain decomposition methods to Helmholtz problems. Our results show that the direct solution method…

Numerical Analysis · Mathematics 2023-05-03 Niall Bootland , Vandana Dwarka , Pierre Jolivet , Victorita Dolean , Cornelis Vuik

Reduced-order models that accurately abstract high fidelity models and enable faster simulation is vital for real-time, model-based diagnosis applications. In this paper, we outline a novel hybrid modeling approach that combines machine…

Signal Processing · Electrical Eng. & Systems 2020-03-06 Ion Matei , Johan de Kleer , Alexander Feldman , Rahul Rai , Souma Chowdhury

We develop a novel method of replica-exchange molecular dynamics (REMD) simulation, mass-scaling REMD (MSREMD) method, which improves trajectory accuracy at high temperatures, and thereby contributes to numerical stability. In addition, the…

Statistical Mechanics · Physics 2015-06-19 Tetsuro Nagai , Takuya Takahashi

Despite the successful implementations of physics-informed neural networks in different scientific domains, it has been shown that for complex nonlinear systems, achieving an accurate model requires extensive hyperparameter tuning, network…

Computational Engineering, Finance, and Science · Computer Science 2022-11-30 Milad Ramezankhani , Amir Nazemi , Apurva Narayan , Heinz Voggenreiter , Mehrtash Harandi , Rudolf Seethaler , Abbas S. Milani

Thermospheric mass density is a major driver of satellite drag, the largest source of uncertainty in accurately predicting the orbit of satellites in low Earth orbit (LEO) pertinent to space situational awareness. Most existing models for…

Space Physics · Physics 2018-08-01 Piyush M. Mehta , Richard Linares , Eric K. Sutton

Stochastic modeling has become a popular approach to quantify uncertainty in flows through heterogeneous porous media. The uncertainty in heterogeneous structure properties is often parameterized by a high-dimensional random variable. This…

Numerical Analysis · Mathematics 2013-10-22 Lijian Jiang , J. David Moulton , Jia Wei