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The phonon Boltzmann transport equation (BTE) is widely utilized to study non-diffusive thermal transport. We find a solution of the BTE in the thin film transient thermal grating (TTG) experimental geometry by using a recently developed…

Mesoscale and Nanoscale Physics · Physics 2016-07-15 Vazrik Chiloyan , Lingping Zeng , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

Neural surrogate solvers of partial differential equations (PDEs) promise dramatic speedups over numerical methods, especially in scenarios requiring many solves. However, current accuracy-based evaluations do not fully consider two central…

Machine Learning · Computer Science 2026-05-18 Yijing Zhang , Nicholas Roberts , Tanya Marwah , Mikhail Khodak

Algorithmic formulations of GPU programs provide a high-level alternative to device-specific code by expressing computations as compositions of well-defined parallel primitives (e.g., map, sort, reduce), rather than through handcrafted GPU…

Computational Physics · Physics 2026-04-21 Raphael Maggio-Aprile , Maxime Rambosson , Christophe Coreixas , Jonas Latt

Predicting effective thermal conductivity by solving a Partial Differential Equation (PDE) defined on a high-resolution Representative Volume Element (RVE) is a computationally intensive task. In this paper, we tackle the task by proposing…

Numerical Analysis · Mathematics 2024-04-04 Changqing Ye , Shubin Fu , Eric T. Chung

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to…

In the Exa-Dune project we have developed, implemented and optimised numerical algorithms and software for the scalable solution of partial differential equations (PDEs) on future exascale systems exhibiting a heterogeneous massively…

Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…

Computational Physics · Physics 2015-06-05 Jean-Philippe Peraud , Nicolas Hadjiconstantinou

High-dimensional partial-differential equations (PDEs) arise in a number of fields of science and engineering, where they are used to describe the evolution of joint probability functions. Their examples include the Boltzmann and…

Numerical Analysis · Mathematics 2018-10-17 A. M. P. Boelens , D. Venturi , D. M. Tartakovsky

Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-04 Johansell Villalobos , Daniel Caviedes-Voullième , Silvio Rizzi , Esteban Meneses

A major bottleneck in scenario-based Sample Average Approximation (SAA) for stochastic programming (SP) is the cost of solving an exact second-stage problem for every scenario, especially when each scenario contains an NP-hard combinatorial…

Optimization and Control · Mathematics 2026-05-12 Jingyi Zhao , Linxin Yang , Haohua Zhang , Qile He , Tian Ding

We employ the Partially Saturated Cells Method (PSM) to model the interaction between the fluid flow and solid moving objects as an extension to the conventional lattice Boltzmann method. We introduce an efficient and accurate method for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 P. Suffa , S. Kemmler , H. Koestler , U. Ruede

We introduce a novel, efficient computational method, ZEUS, for numerical optimization, and provide an open-source implementation. It has four key ingredients: (1) particle swarm optimization (PSO), (2) the use of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-01 Dominik Soos , Marc Paterno , Desh Ranjan , Mohammad Zubair

This article presents the principles, software architecture, and performance analysis of the GPU port of the lattice Boltzmann software library Palabos (J. Latt et al., "Palabos: Parallel lattice Boltzmann solver", Comput. Math. Appl. 81,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-12 Jonas Latt , Christophe Coreixas

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

In this paper, a fast synthetic iterative scheme is developed to accelerate convergence for the implicit DOM based on the stationary phonon BTE. The key innovative point of the present scheme is the introduction of the macroscopic synthetic…

Computational Physics · Physics 2018-12-18 Chuang Zhang , Songze Chen , Zhaoli Guo , Lei Wu

The predictive modeling of lattice thermal conductivity is of fundamental importance for the understanding and design of materials for a wide range of applications. Two major approaches, namely molecular dynamics (MD) simulations and…

Materials Science · Physics 2019-08-14 Marcello Puligheddu , Yi Xia , Maria K. Y. Chan , Giulia Galli

With the emergence of new high-performance computing (HPC) accelerators, such as Nvidia and AMD GPUs, efficiently targeting diverse hardware architectures has become a major challenge for HPC application developers. The increasing hardware…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Måns I. Andersson , Martin Karp , Niclas Jansson , Stefano Markidis

Designing programming environments for physical simulation is challenging because simulations rely on diverse algorithms and geometric domains. These challenges are compounded when we try to run efficiently on heterogeneous parallel…

High-performance computing systems are more and more often based on accelerators. Computing applications targeting those systems often follow a host-driven approach in which hosts offload almost all compute-intensive sections of the code…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-15 E. Calore , A. Gabbana , S. F. Schifano , R. Tripiccione

The phonon Boltzmann transport equation (BTE) is widely used for describing multiscale heat conduction (from nm to $\mu$m or mm) in solid materials. Developing numerical approaches to solve this equation is challenging since it is a…

Computational Physics · Physics 2024-10-29 Qingyi Lin , Chuang Zhang , Xuhui Meng , Zhaoli Guo
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