Title :
Parallel computation of electron molecule collisions
Author :
Winstead, Carl ; Pritchard, Howard ; McKoy, Vincent
Author_Institution :
Arthur Amos Noyes Lab. of Chem. Phys., California Inst. of Technol., Pasadena, CA, USA
Abstract :
When electrons and molecules collide, interesting-and sometimes useful-results follow. The paper considers how methods adapted to parallel computers can now predict the outcomes of collisions for rather large molecules, thereby opening a new range of processes to study. Before we describe how our method is implemented on massively parallel machines, we look at which steps in the formulation are numerically intensive. Also we discuss the organisation of the SMC program
Keywords :
Schrodinger equation; molecule-electron collisions; parallel processing; physics computing; SMC program; Schrodinger equation; computational studies; electron molecule collisions; large molecules; massively parallel machines; numerically intensive; parallel computation; parallel computers; Acoustic scattering; Concurrent computing; Electrons; Light scattering; Particle scattering; Plasma chemistry; Plasma properties; Quantum computing; Quantum mechanics; Seismology;
Journal_Title :
Computational Science & Engineering, IEEE
