Related papers: Coupling Finite Element Method with Large Scale At…

Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…

We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…

We consider a class of adaptive multilevel domain decomposition-like algorithms, built from a combination of adaptive multilevel finite element, domain decomposition, and partition of unity methods. These algorithms have several interesting…

A three-dimensional Multiphysics Lattice Discrete Particle Model (M-LDPM) framework is formulated to investigate the fracture permeability behavior of shale. The framework features a dual lattice system mimicking the mesostructure of the…

We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…

In this work, we develop a stochastic matrix product state (stoMPS) approach that combines the MPS technique and Monte Carlo samplings and can be applied to simulate quantum lattice models down to low temperature. In particular, we exploit…

Matrix Product State (MPS) is a versatile tensor network representation widely applied in quantum physics, quantum chemistry, and machine learning, etc. MPS sampling serves as a critical fundamental operation in these fields. As the…

We present results from a new approach to learning and plasticity in neuromorphic hardware systems: to enable flexibility in implementable learning mechanisms while keeping high efficiency associated with neuromorphic implementations, we…

We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can…

In this work, we propose a mixed finite element method for solving elliptic multiscale problems based on a localized orthogonal decomposition (LOD) of Raviart-Thomas finite element spaces. It requires to solve local problems in small…

Heliospheric plasmas require multi-scale and multi-physics considerations. On one hand, MHD codes are widely used for global simulations of the solar-terrestrial environments, but do not provide the most elaborate physical description of…

Simulation in media with multiple continua where each continuum interacts with every other is often challenging due to multiple scales and high contrast. One needs some types of model reduction. One of the approaches is multi-continuum…

We demonstrate that scalable neuromorphic hardware can implement the finite element method, which is a critical numerical method for engineering and scientific discovery. Our approach maps the sparse interactions between neighboring finite…

Developing an efficient code for large, multiscale astrophysical simulations is crucial in preparing the upcoming era of exascale computing. RAMSES is an astrophysical simulation code that employs parallel processing based on the Message…

Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…

In this work, methods are presented to automatically generate a fully atomistic LAMMPS models of arbitrary linear multiblock polyurethane copolymers. The routine detailed here receives as parameters the number of repeat units per hard…

We present an algorithm to simulate the many-body depletion interaction between anisotropic colloids in an implicit way, integrating out the degrees of freedom of the depletants, which we treat as an ideal gas. Because the depletant…

The Simplex tableau has been broadly used and investigated in the industry and academia. With the advent of the big data era, ever larger problems are posed to be solved in ever larger machines whose architecture type did not exist in the…

In this paper, a new progressive mesh algorithm is introduced in order to perform fast physical simulations by the use of a lattice Boltzmann method (LBM) on a single-node multi-GPU architecture. This algorithm is able to mesh automatically…

Multiple patterning lithography has been widely adopted in advanced technology nodes of VLSI manufacturing. As a key step in the design flow, multiple patterning layout decomposition (MPLD) is critical to design closure. Due to the…