First Advisor

Leonard Shapiro

Date of Publication


Document Type


Degree Name

Master of Science (M.S.) in Computer Science


Computer Science


Chemistry -- Data processing, Chemistry -- Computer simulation, Computational Chemistry Output Language



Physical Description

1 online resource (170 p.)


A necessity of managing scientific data is the ability to maintain experimental legacy information without continually modifying the applications that create and use that information. By facilitating the management of scientific data we hope to give scientists the ability to effectively use additional modeling applications and experimental data. We have demonstrated that an extensible interpreter, using a series of stored directives, allows the loading of data from computational chemistry applications into a generic database. Extending the interpreter to support a new application involves supplying a list of directives for each piece of information to be loaded. This research confirms that an extensible interpreter can be used to load computational chemistry experimental data into a generic database. This procedure may be applicable to the loading and retrieving of other types of experimental data without requiring modifications of the loading and retrieving applications.


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Persistent Identifier