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Scalable Parallel Molecular Dynamics Algorithms For Organic Systems, Satyavani Vemparala Jan 2003

Scalable Parallel Molecular Dynamics Algorithms For Organic Systems, Satyavani Vemparala

LSU Master's Theses

A scalable parallel algorithm, Macro-Molecular Dynamics (MMD), has been developed for large-scale molecular dynamics simulations of organic macromolecules, based on space-time multi-resolution techniques and dynamic management of distributed lists. The algorithm also includes the calculation of long range forces using Fast Multipole Method (FMM). FMM is based on the octree data structure, in which each parent cell is divided into 8 child cells and this division continues until the cell size is equal to the non-bonded interaction cutoff length. Due to constant number of operations performed at each stage of the octree, the FMM algorithm scales as O(N). Design and …


Computer Assisted Eye Fungal Infection Diagnosis, Madhusudhanan Balasubramanian Jan 2003

Computer Assisted Eye Fungal Infection Diagnosis, Madhusudhanan Balasubramanian

LSU Master's Theses

In this thesis, an attempt has been made to assist the diagnosis of Fungal Keratitis, a fungal infection that occurs in the corneal layers of the eye, by identifying the region of infection in the corneal images using fractal-based features. Three features related to the fractal dimension of the surface of the image, when represented in a 3D using the pixel intensity measure, are used to identify these regions in the image. To reduce the computation complexity, Fisher linear discriminant (FLD) is used to reduce the 3D raw feature to 1D feature, while preserving feature values. Using the adaptive mixtures …