Related papers: A Hybrid Fast Multipole Method for Cosmological N-…
In the context of intra-cluster medium turbulence, it is essential to be able to split the turbulent velocity field in a compressive and a solenoidal component. We describe and implement a new method for this aim, i.e., performing a…
Extended solids are frequently simulated as finite systems with periodic boundary conditions, which due to the long-range nature of the Coulomb interaction may lead to slowly decaying finite- size errors. In the case of Quantum-Monte-Carlo…
We present the multi-GPU realization of the StePS (Stereographically Projected Cosmological Simulations) algorithm with MPI-OpenMP-CUDA hybrid parallelization and nearly ideal scale-out to multiple compute nodes. Our new zoom-in…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
We present the pseudo-particle multipole method (P2M2), a new method to handle multipole expansion in fast multipole method and treecode. This method uses a small number of pseudo-particles to express multipole expansion. With this method,…
The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…
The Direct Simulation Monte Carlo (DSMC) method is widely employed for simulating rarefied nonequilibrium gas flows. With advances in aerospace engineering and micro/nano-scale technologies, gas flows exhibit the coexistence of rarefied and…
Fast multipole methods (FMM) on distributed mem- ory have traditionally used a bulk-synchronous model of com- municating the local essential tree (LET) and overlapping it with computation of the local data. This could be perceived as an…
This report is concerned with the efficiency of numerical methods for simulating quantum spin systems, with the aim to implement an improved method for simulation of a time-dependent Hamiltonian that displays chirped pulses at a high…
Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…
In this paper, we introduce a novel convex formulation that seamlessly integrates the Material Point Method (MPM) with articulated rigid body dynamics in frictional contact scenarios. We extend the linear corotational hyperelastic model…
In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this…
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…
Machine learning potentials have emerged as a means to enhance the accuracy of biomolecular simulations. However, their application is constrained by the significant computational cost arising from the vast number of parameters compared to…
This study investigates the cosmological dynamics of an accelerating universe within the framework of teleparallel gravity using an exponential f(T) functional form. To obtain exact cosmological solutions, a hybrid scale factor is employed…
We developed a new direct-tree hybrid N-body algorithm for fully self-consistent N-body simulations of star clusters in their parent galaxies. In such simulations, star clusters need high accuracy, while galaxies need a fast scheme because…
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…
Current multi-modal image fusion methods typically rely on task-specific models, leading to high training costs and limited scalability. While generative methods provide a unified modeling perspective, they often suffer from slow inference…
Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…
The N-body problem is a classic problem involving a system of N discrete bodies mutually interacting in a dynamical system. At any moment in time there are N*(N - 1)/2 such interactions occurring. This scaling as N^2 leads to computational…