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The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…
Magnetohydrodynamics (MHD) couples the Navier--Stokes and Maxwell equations into a nonlinear system of partial differential equations governing stellar interiors, astrophysical jets, fusion plasmas, and space weather. Numerical advances,…
The spectral features of water clusters provide important information on their structure and dynamics and can assist in deciphering the nature of the local environment of aqueous solutions in a variety of different conditions. Accurately…
The diffuse medium in and around galaxies can exist in a multi-phase state: small, cold gas clouds contributing significantly to the total mass embedded in pressure equilibrium with a hotter, more diffuse volume-filling component. Modeling…
Recently, the application of machine learning models has gained momentum in natural sciences and engineering, which is a natural fit due to the abundance of data in these fields. However, the modeling of physical processes from simulation…
We use three-dimensional numerical hydrodynamic simulations of the turbulent, multiphase atomic interstellar medium (ISM) to construct and analyze synthetic HI 21 cm emission and absorption lines. Our analysis provides detailed tests of 21…
Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…
The HL-LHC and the corresponding detector upgrades for the CMS experiment will present extreme challenges for the full simulation. In particular, increased precision in models of physics processes may be required for accurate reproduction…
We present the results of large scale simulations of 4th order nonlinear partial differential equations of dif- fusion type that are typically encountered when modeling dynamics of thin fluid films on substrates. The simulations are based…
The field of astrophysics has long sought computational tools capable of harnessing the power of modern GPUs to simulate the complex dynamics of astrophysical phenomena. The Kratos Framework, a novel GPU-based simulation system designed to…
A major goal of computational astrophysics is to simulate the Milky Way Galaxy with sufficient resolution down to individual stars. However, the scaling fails due to some small-scale, short-timescale phenomena, such as supernova explosions.…
We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…
The use of 3D hydrodynamical simulations of stellar surface convection for model atmospheres is computationally expensive. Although these models have been available for quite some time, their use is limited because of the lack of extensive…
Many hydrodynamic processes can be studied in a way that is scalable over a vastly relevant physical parameter space. We systematically examine this scalability, which has so far only briefly discussed in astrophysical literature. We show…
The RMPCDMD software package performs hybrid Molecular Dynamics simulations, coupling Multiparticle Collision Dynamics to model the solvent and Molecular Dynamics to model suspended colloids, including hydrodynamics, thermal fluctuations,…
We investigate the impact of 3D hydrodynamical model atmospheres of red giant stars at different metallicities on the formation of spectral lines of a number of ions and molecules. We carry out realistic 3D simulations of surface convection…
We present a new method for numerical hydrodynamics which uses a multidimensional generalisation of the Roe solver and operates on an unstructured triangular mesh. The main advantage over traditional methods based on Riemann solvers, which…
Oxide-water interfaces govern a wide range of physical and chemical processes fundamental to many fields like catalysis, geochemistry, corrosion, electrochemistry, and sensor technology. Near solid oxide surfaces, water behaves differently…
Immersed boundary methods (IBMs) facilitate the simulation of flows around stationary, moving, and deforming bodies on Cartesian grids. However, extending these simulations to the large grid sizes required for realistic flow problems…
The solidification behavior of liquid metal in a container under rapid cooling process is one of the major concerns to be analyzed. In order to analyze its fundamental behavior, a three- dimensional (3D) fluid dynamics simulation was…