William R. Saunders
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View article: Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers
Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers Open
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution of mobile point defects into so-called space-charge regions …
View article: A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles
A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles Open
View article: On The Vertical Integration Of Mechatronics At Virginia Tech
On The Vertical Integration Of Mechatronics At Virginia Tech Open
NOTE: The first page of text has been automatically extracted and included below in lieu of an abstract Session 2366 On the Vertical Integration of Mechatronics at Virginia Tech Donald E. Grove, William R. Saunders, Charles F. Reinholtz De…
View article: Parallel Performance of ARM ThunderX2 for Atomistic Simulation Algorithms
Parallel Performance of ARM ThunderX2 for Atomistic Simulation Algorithms Open
Atomistic simulation drives scientific advances in modern material science and accounts for a significant proportion of wall time on High Performance Computing facilities. It is important that algorithms are efficient and implementations a…
View article: Monte Carlo simulations of interacting particles with fast and accurate electrostatics.
Monte Carlo simulations of interacting particles with fast and accurate electrostatics. Open
To minimise systematic errors in Monte Carlo simulations of charged particles, long range electrostatic interactions have to be calculated accurately and efficiently. Standard approaches, such as Ewald summation or the naive application of…
View article: Fast electrostatic solvers for kinetic Monte Carlo simulations
Fast electrostatic solvers for kinetic Monte Carlo simulations Open
View article: A domain specific language for performance portable molecular dynamics algorithms
A domain specific language for performance portable molecular dynamics algorithms Open
View article: Long range forces in a performance portable Molecular Dynamics framework
Long range forces in a performance portable Molecular Dynamics framework Open
Molecular Dynamics (MD) codes predict the fundamental properties of matter by following the trajectories of a collection of interacting model particles. To exploit diverse modern manycore hardware, efficient codes must use all available pa…
View article: Data Release: A Domain Specific Language For Performance Portable Molecular Dynamics Algorithms
Data Release: A Domain Specific Language For Performance Portable Molecular Dynamics Algorithms Open
The archive contains the supporting data for the results described in the paper titled "A Domain Specific Language for Performance Portable Molecular Dynamics Algorithms". For more information see either the individual README files or cons…