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DATABASE AND ANALYTICAL TOOL DEVELOPMENT FOR THE MANAGEMENT OF DATA DERIVED FROM US DOE (NETL) FUNDED FINE PARTICULATE (PM 2.5) RESEARCH

Description: 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 scie… more
Date: February 11, 2006
Creator: Khosah, Robinson P. & Crawford, Charles G.
Partner: UNT Libraries Government Documents Department
open access

Linear-scaling evaluation of the local energy in quantum MonteCarlo

Description: 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 sca… more
Date: February 11, 2006
Creator: Austin, Brian; Aspuru-Guzik, Alan; Salomon-Ferrer, Romelia & Lester Jr., William A.
Partner: UNT Libraries Government Documents Department
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