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Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as systems containing large molecules such as hydrogels. For the…

Chemical Physics · Physics 2011-07-26 Jonathan Walter , Stephan Deublein , Steffen Reiser , Martin Horsch , Jadran Vrabec , Hans Hasse

One of the challenges when simulating astrophysical flows with self-gravity is to compute the gravitational forces. In contrast to the hyperbolic hydrodynamic equations, the gravity field is described by an elliptic Poisson equation. We…

Numerical Analysis · Mathematics 2021-06-30 Michael Schlottke-Lakemper , Andrew R. Winters , Hendrik Ranocha , Gregor J. Gassner

Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…

Computational Physics · Physics 2017-12-06 Horacio V. Guzman , Christoph Junghans , Kurt Kremer , Torsten Stuehn

Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the interface. We consider the sharp-interface motion of compressible two-component flow, and propose a heterogeneous…

Numerical Analysis · Mathematics 2023-09-06 Jim Magiera , Christian Rohde

The next generation of force fields for molecular dynamics will be developed using a wealth of data. Training systematically with experimental data remains a challenge, however, especially for machine learning potentials. Differentiable…

Biomolecules · Quantitative Biology 2025-04-16 Joe G Greener

We propose a novel approach for deformation-aware neural networks that learn the weighting and synthesis of dense volumetric deformation fields. Our method specifically targets the space-time representation of physical surfaces from liquid…

Graphics · Computer Science 2019-02-21 Lukas Prantl , Boris Bonev , Nils Thuerey

Current, realistic numerical simulations of the solar atmosphere reproduce observations in a statistical sense; they do not replicate observations such as a movie of solar granulation. Inversions on the other hand reproduce observations by…

Solar and Stellar Astrophysics · Physics 2025-05-09 Christoph U. Keller

We investigate a hybrid numerical algorithm aimed at the large-scale cosmological N-body simulation for the on-going and the future high precious sky surveys. It makes use of a truncated Fast Multiple Method (FMM) for short-range gravity,…

Computational Physics · Physics 2021-01-13 Qiao Wang

Simulating the evolution of the gravitational N-body problem becomes extremely computationally expensive as N increases since the problem complexity scales quadratically with the number of bodies. We study the use of Artificial Neural…

Earth and Planetary Astrophysics · Physics 2023-11-01 Veronica Saz Ulibarrena , Philipp Horn , Simon Portegies Zwart , Elena Sellentin , Barry Koren , Maxwell X. Cai

Accurate simulations of flows in stellar interiors are crucial to improving our understanding of stellar structure and evolution. Because the typically slow flows are merely tiny perturbations on top of a close balance between gravity and…

Solar and Stellar Astrophysics · Physics 2021-08-18 P. V. F. Edelmann , L. Horst , J. P. Berberich , R. Andrassy , J. Higl , G. Leidi , C. Klingenberg , F. K. Roepke

Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…

Machine Learning · Computer Science 2021-09-21 Alban Odot , Ryadh Haferssas , Stéphane Cotin

The next generation of cosmological spectroscopic sky surveys will probe the distribution of matter across several Gigaparsecs (Gpc) or many billion light-years. In order to leverage the rich data in these new maps to gain a better…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-08 Cooper Jacobus , Roger de Belsunce , Solene Chabanier , Peter Harrington , JD Emberson , Zarija Lukić , Salman Habib

The present work proposes an approach for fluid-solid and contact interaction problems including thermo-mechanical coupling and reversible phase transitions. The solid field is assumed to consist of several arbitrarily-shaped, undeformable…

Computational Engineering, Finance, and Science · Computer Science 2021-09-14 Sebastian L. Fuchs , Christoph Meier , Wolfgang A. Wall , Christian J. Cyron

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential…

Graphics · Computer Science 2023-11-07 Oshri Halimi , Egor Larionov , Zohar Barzelay , Philipp Herholz , Tuur Stuyck

Magnetised plasma turbulence pervades the universe and is likely to play an important role in a variety of astrophysical settings. Magnetohydrodynamics (MHD) provides the simplest theoretical framework in which phenomenological models for…

Plasma Physics · Physics 2012-07-23 Joanne Mason , Jean C. Perez , Stanislav Boldyrev , Fausto Cattaneo

Modeling self-gravity of collisionless fluids (e.g. ensembles of dark matter, stars, black holes, dust, planetary bodies) in simulations is challenging and requires some force softening. It is often desirable to allow softenings to evolve…

Astrophysics of Galaxies · Physics 2025-12-22 Philip F. Hopkins , Ethan O. Nadler , Michael Y. Grudic , Xuejian Shen , Isabel Sands , Fangzhou Jiang

We present a numerical method to deal efficiently with large numbers of particles in incompressible fluids. The interactions between particles and fluid are taken into account by a physically motivated ansatz based on locally defined drag…

Condensed Matter · Physics 2016-08-31 W. Kalthoff , S. Schwarzer , G. H. Ristow , H. J. Herrmann

Dynamical aspects of cosmological model in an extended gravity theory have been investigated in the present work. We have adopted a simplified approach to obtain cosmic features, which in fact requires more involved calculations. A…

General Relativity and Quantum Cosmology · Physics 2021-06-10 B. Mishra , S. K. Tripathy , Sankarsan Tarai

Analogue gravity offers an approach for testing the universality and robustness of quantum field theories in curved spacetimes and validating them using down-to-earth, laboratory-based experiments. Fluid interfaces are a promising framework…

General Relativity and Quantum Cosmology · Physics 2023-06-27 Vitor S. Barroso , Cameron R. D. Bunney , Silke Weinfurtner

Smoothed particle hydrodynamics (SPH) is omnipresent in modern engineering and scientific disciplines. SPH is a class of Lagrangian schemes that discretize fluid dynamics via finite material points that are tracked through the evolving…