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Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…

Collisional and stochastic wave-particle dynamics in plasmas far from equilibrium are complex, temporally evolving, stochastic processes which are challenging to model. In this work, we extend previous methods coupling differentiable…

Plasma Physics · Physics 2026-04-27 Diogo D. Carvalho , Luis O. Silva , E. Paulo Alves

Particle acceleration at magnetized purely perpendicular relativistic shocks in electron-ion plasmas are studied by means of two-dimensional particle-in-cell simulations. Magnetized shocks with the upstream bulk Lorentz factor $\gamma_1 \gg…

High Energy Astrophysical Phenomena · Physics 2022-01-20 Masanori Iwamoto , Takanobu Amano , Yosuke Matsumoto , Shuichi Matsukiyo , Masahiro Hoshino

Efficient and accurate algorithms are necessary to reconstruct particles in the highly granular detectors anticipated at the High-Luminosity Large Hadron Collider and the Future Circular Collider. We study scalable machine learning models…

Data Analysis, Statistics and Probability · Physics 2024-07-17 Joosep Pata , Eric Wulff , Farouk Mokhtar , David Southwick , Mengke Zhang , Maria Girone , Javier Duarte

The motion of fluid particles as they are pushed along erratic trajectories by fluctuating pressure gradients is fundamental to transport and mixing in turbulence. It is essential in cloud formation and atmospheric transport, processes in…

Fluid Dynamics · Physics 2009-11-06 A. La Porta , Greg A. Voth , Alice M. Crawford , Jim Alexander , Eberhard Bodenschatz

In this work I present a technique of construction and fast evaluation of a family of cubic polynomials for analytic smoothing and graphical rendering of particles trajectories for flows in a generic geometry. The principal result of the…

Numerical Analysis · Mathematics 2025-10-20 Gianluca Argentini

The past decade has seen an outstanding development of nonthermal particle acceleration in magnetic reconnection in magnetically-dominated systems, with clear signatures of power-law energy distributions as a common outcome of…

High Energy Astrophysical Phenomena · Physics 2023-09-11 Xiaocan Li , Fan Guo , Yi-Hsin Liu , Hui Li

A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to…

Workflow support typically focuses on single simulation experiments. This is also the case for simulation based on finite element methods. If entire simulation studies shall be supported, flexible means for intertwining revising the model,…

Computational Engineering, Finance, and Science · Computer Science 2020-10-16 Andreas Ruscheinski , Pia Wilsdorf , Julius Zimmermann , Ursula van Rienen , Adelinde M. Uhrmacher

The creation and design of a plasma thruster are considered using a rotating cylindrical plasma flow in crossed magnetic fields. The thruster scheme uses this plasma guided by a permanent, radial and a time-dependent axial magnetic field.…

Plasma Physics · Physics 2017-09-06 A. R. Karimov , P. A. Murad

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Quantum mechanical averaging of the particle concentration operator is an effective starting point for derivation of the many-particle quantum hydrodynamic equations. In many-particle quantum systems, we have to separate the ordered motion…

Plasma Physics · Physics 2013-04-23 Pavel A. Andreev , Felipe A. Asenjo , Swadesh M. Mahajan

We propose a supervised machine learning algorithm, decision trees, to analyze molecular dynamics output. The approach aims to identify the predominant geometric features which correlate with trajectories that transition between two…

Chemical Physics · Physics 2021-10-13 Sander Roet , Christopher David Daub , Enrico Riccardi

The physics of particle acceleration in turbulent plasmas is a topic of broad interest, which is making rapid progress thanks to dedicated, large-scale numerical experiments. The first part of this paper presents an effective theory of…

Plasma Physics · Physics 2025-07-08 M. Lemoine

In this paper, we present ScalarFlow, a first large-scale data set of reconstructions of real-world smoke plumes. We additionally propose a framework for accurate physics-based reconstructions from a small number of video streams. Central…

Graphics · Computer Science 2020-11-23 Marie-Lena Eckert , Kiwon Um , Nils Thuerey

To investigate the fundamental nature of matter and its interactions, particles are accelerated to very high energies and collided inside detectors, producing a multitude of other particles that are scattered in all directions. As charged…

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Chemical Physics · Physics 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

Magnetic reconnection is a leading mechanism for dissipating magnetic energy and accelerating nonthermal particles in Poynting-flux dominated flows. In this letter, we investigate nonthermal particle acceleration during magnetic…

High Energy Astrophysical Phenomena · Physics 2016-02-17 Fan Guo , Xiaocan Li , Hui Li , William Daughton , Bing Zhang , Nicole Lloyd-Ronning , Yi-Hsin Liu , Haocheng Zhang , Wei Deng

Particle-in-cell methods with stochastic collision models are commonly used to simulate collisional plasma dynamics, with applications ranging from hypersonic flight to semiconductor manufacturing. Code verification of such methods is…

Computational Physics · Physics 2026-05-26 Brian A. Freno , William J. McDoniel , Christopher H. Moore , Neil R. Matula
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