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Search Publications by: Prof. Michael Mascagni (Fed)

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Displaying 1 - 6 of 6

Geometry Entrapment in Walk-on-Subdomains

November 19, 2019
Author(s)
Walid Keyrouz, Preston Hamlin, W. J. Thrasher, Michael V. Mascagni
One method of computing the electrostatic energy of a biomolecule in a solution combines the Walk-On-Spheres and Walk-On-Subdomains Monte Carlo algorithms. In the course of examining an implementation of this method, a performance issue was discovered in

Acceleration and Parallelization of ZENO/Walk-on-Spheres

June 1, 2016
Author(s)
Derek Juba, Walid Keyrouz, Michael V. Mascagni, Mary C. Brady, Michael Mascagni
This paper describes our on-going work to accelerate ZENO, a software tool based on Monte Carlo methods (MCMs), used for computing material properties at the nanoscale. ZENO employs three main algorithms: (1)Walk on Spheres (WoS), (2)interior sampling, and

Scientific Software Sustainability: The Numerical Reproducibility Challenge

October 15, 2015
Author(s)
Walid Keyrouz, Michael V. Mascagni
Experimental reproducibility is a cornerstone of the scientific method. The ease of achieving its counterpart in computing, numerical reproducibility, was one of the core assumptions underpinning the growth of scientific computing over the past several