Год выпуска: 2014 Автор: Eyad Hailat Издательство: LAP Lambert Academic Publishing Страниц: 132 ISBN: 9783659554636
Описание
The objective of this work is to design and implement a self-adaptive parallel GPU optimized Monte Carlo algorithm for the simulation of adsorption in porous materials. We focus on Nvidia's GPUs and CUDA's Fermi architecture specifically. The resulting package supports the different ensemble methods for the Monte Carlo simulation, which will allow for the simulation of multi-component adsorption in porous solids. Such an algorithm will have broad applications to the development of novel porous materials for the sequestration of CO2 and the filtration of toxic industrial chemicals. The primary objective of this work is the release of a massively parallel open source Monte Carlo simulation engine implemented using GPUs, called GOMC. The code will utilize the canonical ensemble, and the Gibbs ensemble method, which will allow for the simulation of multiple phenomena, including liquid-vapor phase coexistence, and single and multi-component adsorption in porous materials. In...
