Bambi meets Godzilla: object databases for scientific computing

Object-oriented databases (OODBs) are in many ways a better match for scientific data management than conventional record-oriented database systems. User-defined datatypes reduce the encoding going from a scientific domain to the database. Direct support for complex objects is useful for capturing hierarchical structures, such as molecules. OODBs generally have collection types, such as lists and arrays, that are a better basis than sets for the dimensional data common in scientific applications. Their inherent extensibility seems a good match for handling new kinds of metadata, and having behavior definable in the database permits transparent access to existing data in multiple formats via a common object model. We describe our experiences with using BODBs for scientific data, in the domains of computational chemistry, and materials science. We deal with areas that need improvement for OODBs to support scientific applications