Authors: Keith Butler, Kim Jelfs, Wojtek Gren and Ayako Umemura

A brief document outlining the main computational methods used in this project. It provides an introduction to classical and quantum methods employed as well as some case studies of programs specifically developed on this project. Also an overview of the major problems constraints and considerations involved in the modeling process are addressed.

A web viewable pdf of the document is available here.
Also a download can be obtained by clicking here.
Finally as a last resort a rough and ready html version is available here.

First Authors: Rhea Brent, Sam Stevens, Keith Butler,Ayako Umemura.

Click on the images above for the a web viewable abstract. The papers are from left to right "Shape Dependent Crystal Growth Of Zeolite L Studied By AFM" by Rhea Brent and Micheal Anderson; "High-Resolution Scanning Electron and Atomic Force Microscopies: Observation of Nanometer Features on Zeolite Surfaces" by Sam Michael Stevens, Kjell Jansson, Neena S. John, Osamu Terasaki, Michael W. Anderson, Maria Castro, Paul A. Wright, & Pablo Cubillas;"Modelling Crystal Growth In Zeolite A" by Ayako Umemura, Pablo Cubillas, Michael W. Anderson, and Jonathan R. Agger; and "A Density Functional Theory Study of Environment, Structure and Charge Effects on 29Si NMR Chemical Shifts In Pre-Nucleation Species" by Keith Butler, Dewi Lewis and Ben Slater. All of the above are also available for downloading by clciking below.

Shape Dependent Crystal Growth Of Zeolite L Studied By AFM
High-Resolution Scanning Electron and Atomic Force Microscopies: Observation of Nanometer Features on Zeolite Surfaces.
A Density Functional Theor y Study of Environment, Structure and Charge Effects on 29Si NMR Chemical Shifts In Pre-Nucleation S pecies
Modelling Crystal Growth In Zeolite A pecies