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Numerical simulations of two-phase flow and fluid structure interaction problems are of great interest in many environmental problems and engineering applications. To capture the complex physical processes involved in these problems, a high…
Machine learning has recently emerged as a powerful tool for generating new molecular and material structures. The success of state-of-the-art models stems from their ability to incorporate physical symmetries, such as translation,…
Computationally solving the equations of elasticity is a key component in many materials science and mechanics simulations. Phenomena such as deformation-induced microstructure evolution, microfracture, and microvoid nucleation are examples…
Direct discretization of continuum kinetic equations, like the Vlasov equation, are under-utilized because the distribution function generally exists in a high-dimensional (>3D) space and computational cost increases geometrically with…
Cartesian-grid methods with Adaptive Mesh Refinement (AMR) are ideally suited for simulating the breaking of waves, the formation of spray, and the entrainment of air around ships. As a result of the cartesian-grid formulation, minimal…
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…
Variational inequalities play a pivotal role in a wide array of scientific and engineering applications. This project presents two techniques for adaptive mesh refinement (AMR) in the context of variational inequalities, with a specific…
We present here the first systematic treatment of the problems posed by the visualization and analysis of large-scale, parallel adaptive mesh refinement (AMR) simulations on an Eulerian grid. When compared to those obtained by constructing…
This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…
The advantages and disadvantages of two approaches to astrophysical hydrodynamics, Smoothed Particle Hydrodynamics and Adaptive Mesh Refinement, are briefly discussed together with some current problems of computational hydrodynamics.
Covariant density functional theory and the tilted axis cranking method are used to investigate antimagnetic rotation (AMR) in nuclei for the first time in a fully self-consistent and microscopic way. The experimental spectrum as well as…
An implicit method for the ohmic dissipation is proposed. The proposed method is based on the Crank-Nicolson method and exhibits second-order accuracy in time and space. The proposed method has been implemented in the SFUMATO adaptive mesh…
As supercomputers advance towards exascale capabilities, computational intensity increases significantly, and the volume of data requiring storage and transmission experiences exponential growth. Adaptive Mesh Refinement (AMR) has emerged…
We implement adaptive mesh refinement (AMR) simulations of global topological strings using the public code, GRChombo. We perform a quantitative investigation of massive radiation from single sinusoidally displaced string configurations,…
Given the importance of simulating hydromagnetic processes that impact star formation, we have earlier developed a 3D adaptive mesh approach that allows us to include hydromagnetic processes during the formation and evolution of cores,…
A new code, named MAP, is written in Fortran language for magnetohydrodynamics (MHD) calculation with the adaptive mesh refinement (AMR) and Message Passing Interface (MPI) parallelization. There are several optional numerical schemes for…
A space-time adaptive method is presented for the reactive Euler equations describing chemically reacting gas flow where a two species model is used for the chemistry. The governing equations are discretized with a finite volume method and…
We have implemented non-ideal Magneto-Hydrodynamics (MHD) effects in the Adaptive Mesh Refinement (AMR) code RAMSES, namely ambipolar diffusion and Ohmic dissipation, as additional source terms in the ideal MHD equations. We describe in…