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Filtering by: Creator Wolff, David Subject Molecular dynamics

Molecular dynamics applications and techniques : a comparison study of silica potentials and techniques for accelerating computation

Creator:

Wolff, David

Abstract:

This thesis presents a study of applications and techniques for molecular dynamics simulations. Three studies are presented that are intended to improve our ability to simulate larger systems more realistically. A comparison study of two- and three-body potential models for liquid and amorphous Si0₂ is presented. The structural, vibrational, and...

Resource Type:

Dissertation