Advanced Technology Systems, Inc. (ATS) was contracted by the U. S. Department of Energy's National Energy Technology Laboratory (DOE-NETL) to develop a state-of-the-art, scalable and robust web-accessible database application to manage the extensive data sets resulting from the DOE-NETL-sponsored ambient air monitoring programs in the upper Ohio River valley region. The data management system was designed to include a web-based user interface that will allow easy access to the data by the scientific community, policy- and decision-makers, and other interested stakeholders, while providing detailed information on sampling, analytical and quality control parameters. In addition, the system will provide graphical analytical tools for displaying, analyzing and interpreting the air quality data. The system will also provide multiple report generation capabilities and easy-to-understand visualization formats that can be utilized by the media and public outreach/educational institutions. The project is being conducted in two phases. Phase One includes the following tasks: (1) data inventory/benchmarking, including the establishment of an external stakeholder group; (2) development of a data management system; (3) population of the database; (4) development of a web-based data retrieval system, and (5) establishment of an internal quality assurance/quality control system on data management. Phase Two, which is currently underway, involves the …

For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size.

Photograph of a man playing a bass.

Photograph of a man playing a saxophone for audience members.

Photograph of a man playing a bass.

Photograph of a man playing a saxophone.

Photograph of musicians playing on stage.

Photograph of a man playing a soprano saxophone.

Photograph of a man playing a saxophone.

Photograph of a man playing a soprano saxophone.

Photograph of a man playing a keyboard.

Photograph of a man playing a saxophone.

Photograph of a man playing drums.

Photograph of a man playing a saxophone for audience members.

Photograph of a woman singing.

Photograph of a woman smiling into a mirror.

Photograph of a man playing a saxophone.

Photograph of a woman singing.

Photograph of a police officer and a woman smiling.

Photograph of a man playing a soprano saxophone.

Photograph of a man playing a keyboard.

Photograph of a man playing a saxophone for audience members.

Photograph of a man playing a saxophone.

Photograph of a man playing a saxophone.