Steven J. Plimpton

TL;DR: This work presents an efficient implementation of a DPD model for graphical processing units (GPUs) that can run effectively on current-generation supercomputers which often have hybrid nodes containing multi-core CPUs and (one or more) GPUs.

TL;DR: A new research effort aimed at using efficient multibody dynamics methods to simulate coarse-grained molecular systems to validate the method through conservation of energy, thermodynamics properties and conformational analysis is reported.

TL;DR: The authors present a detailed description of the implementation on a parallel supercomputer (hypercube) of the first-order equation-of-motion solution to Schrodinger`s equation, using plane-wave basis functions and ab initio separable pseudopotentials.

TL;DR: In this article, simple shear and torsion of single crystal copper were analyzed by employing experiments, molecular dynamics simulations, and finite element simulations in order to focus on the kinematic responses and the apparent yield strengths at different length scales of the specimens.

TL;DR: This work performs discrete element modeling simulations to construct sphere packings implementing a range of frictional constraints under a pressure-controlled protocol and finds that Mechanically stable packings are achievable at volume fractions and average coordination numbers as low as 0.53 and 2.5, respectively, when the particles experience high resistance to sliding, rolling, and twisting.