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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
High Dimensional Non-Linear Optimization Of Molecular Models, Joseph C. Fogarty
High Dimensional Non-Linear Optimization Of Molecular Models, Joseph C. Fogarty
USF Tampa Graduate Theses and Dissertations
Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the application of theoretical methods. The power of a model lies in the accuracy of the parameter values which govern its mathematical behavior. In this work, a new software, called ParOpt, for general high dimensional non-linear optimization will be presented. The software provides a very general framework for the optimization of a wide variety of parameter sets. The software is especially powerful when applied to the difficult task of molecular model parameter optimization. Three applications of …
Gate Monte Carlo Simulations In A Cloud Computing Environment, Blake Austin Rowedder
Gate Monte Carlo Simulations In A Cloud Computing Environment, Blake Austin Rowedder
UNLV Theses, Dissertations, Professional Papers, and Capstones
The GEANT4-based GATE is a unique and powerful Monte Carlo (MC) platform, which provides a single code library allowing the simulation of specific medical physics applications, e.g. PET, SPECT, CT, radiotherapy, and hadron therapy. However, this rigorous yet flexible platform is used only sparingly in the clinic due to its lengthy calculation time. By accessing the powerful computational resources of a cloud computing environment, GATE's runtime can be significantly reduced to clinically feasible levels without the sizable investment of a local high performance cluster. This study investigated a reliable and efficient execution of GATE MC simulations using a commercial cloud …
Smarticles: A Method For Identifying And Correcting Instability And Error Caused By Explicit Integration Techniques In Physically Based Simulations, Susan Aileen Marano
Smarticles: A Method For Identifying And Correcting Instability And Error Caused By Explicit Integration Techniques In Physically Based Simulations, Susan Aileen Marano
Master's Theses
Using an explicit integration method in physically based animations has many advantages including conceptual and computational simplicity, however, it re- quires small time steps to ensure low numerical instability. Simulations with large numbers of individually interacting components such as cloth, hair, and fluid models, are limited by the sections of particles most susceptible to error. This results in the need for smaller time steps than required for the majority of the system. These sections can be diverse and dynamic, quickly changing in size and location based on forces in the system. Identifying and handling these trou- blesome sections could allow …