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Obtainable computational efficiency is evaluated when using an Adaptive Mesh Refinement (AMR) strategy in time accurate simulations governed by sets of conservation laws. For a variety of 1D, 2D, and 3D hydro- and magnetohydrodynamic…
The resonance frequency of ultra-thin layered two-dimensional (2D) materials changes nonlinearly with the tension induced by the pressure from the surrounding gas. Although the dynamics of pressurized 2D material membranes have been…
Exploiting the efficiency and stability of Position-Based Dynamics (PBD), we introduce a novel crowd simulation method that runs at interactive rates for hundreds of thousands of agents. Our method enables the detailed modeling of per-agent…
This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…
Modern computational science and engineering applications are being improved by the advances in scientific machine learning. Data-driven methods such as Dynamic Mode Decomposition (DMD) can extract coherent structures from spatio-temporal…
We investigate particle acceleration in an MHD-scale system of multiple current sheets by performing 2D and 3D MHD simulations combined with a test particle simulation. The system is unstable for the tearing-mode instability, and magnetic…
In this work, we consider pressurized phase-field fracture problems in nearly and fully incompressible materials. To this end, a mixed form for the solid equations is proposed. To enhance the accuracy of the spatial discretization, a…
Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
This paper presents simulations of the 2d model developed by Poth\'erat at al (\emph{J. Fluid Mech}, 2000) for MHD flows between two planes with a strong transverse homogeneous and steady magnetic field, accounting for moderate inertial…
Accurate prediction of energy and forces for 3D molecular systems is one of fundamental challenges at the core of AI for Science applications. Many powerful and data-efficient neural networks predict molecular energies and forces from…
We propose a method for finding 2D spatial modes of thermal field through a direct measurement of the field intensity and an offline analysis of its spatial fluctuations. Using this method, in a simple and efficient way we reconstruct the…
Molecular dynamics simulates the~movements of atoms. Due to its high cost, many methods have been developed to "push the~simulation forward". One of them, metadynamics, can hasten the~molecular dynamics with the~help of variables describing…
The melting transition of two-dimensional (2D) systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. 2D systems…
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…
Three-dimensional (3D) cardiovascular fluid dynamics simulations typically require hours to days of computing time on a high-performance computing cluster. One-dimensional (1D) and lumped-parameter zero-dimensional (0D) models show great…
Application of computation in many fields are growing fast in last two decades. Increasing on computation performance helps researchers to understand natural phenomena in many fields of science and technology including in life sciences.…
The paper describes an explicit multi-dimensional numerical scheme for Special Relativistic Two-Fluid Magnetohydrodynamics of electron-positron plasma and a suit of test problems. The scheme utilizes Cartesian grid and the third order WENO…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
The single droplet under shear is a foundational problem in fluid mechanics. In computational fluid dynamics, the two-dimensional (2D) formulation offers advantages in both computational efficiency and relevance, yet its theoretical…