Award Abstract #0535656 Cyberinfrastructure and Research Facilities: Developing Collaboratory Tools to Facilitate Multi-Disciplinary, Multi-Scale Research in Environmental Molecular Sciences
Evelyn M. Goldfield
CHE Division of Chemistry
MPS Directorate for Mathematical & Physical Sciences
Start Date:
September 15, 2005
Expires:
August 31, 2010 (Estimated)
Awarded Amount to Date:
$2318552
Investigator(s):
Karl Mueller ktm2@psu.edu (Principal Investigator)
Barbara Garrison (Co-Principal Investigator) C. Giles (Co-Principal Investigator) Prasenjit Mitra (Co-Principal Investigator)
Sponsor:
Pennsylvania State Univ University Park
110 Technology Center Building
UNIVERSITY PARK, PA 16802 814/865-1372
NSF Program(s):
SCI TESTBEDS, PROJECTS, CHEMICAL INSTRUMENTATION
Field Application(s):
Program Reference Code(s):
OTHR, HPCC, 9217, 7569, 0000
Program Element Code(s):
7368, 1978, 1938
ABSTRACT
Karl Mueller, Barbara Garrison, C. L. Giles, and Prasenjit Mitra of Pennsylvania State University are supported by the NSF Divisions of Chemistry and Shared Cyberinfrastructure, under the Cyberinfrastructure and Research Facilities Program. This project represents a multidisciplinary approach to linking kinetic information in environmental chemistry across spatial and temporal scales. The main goal is to integrate experimental, analytical, and simulation results performed on systems from molecular to field scales in order to approximate the complex interactions controlling the fate and transport of contaminants. A federated database will be developed at the Center for Environmental Kinetics Analysis, and NSF-supported Environmental Molecular Science Institute, to improve communication among scientists working in various disciplines and at vastly different scales.
An easily queried, intelligent database can provide access to critically relevant data for a diverse community of users, enabling these users to achieve higher order scientific goals, namely, validation of results and generation of new scientific questions. In this project, a team of chemists and experts in information technology will design such a database for ready access and use, automate the uploading and collection of data, design and build a search engine and digital library for active data and information acquisition, create an interface for conducting experiments, and develop an intelligent user interface.
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH
C. P. Morrow, S. Nangia and B. J. Garrison. "Ab Initio investigation of dissolution mechanisms in aluminosilicate minerals," J. Phys. Chem. A, v.113, 2009, p. 1343.
Nangia, S. and Garrison, B.J.. "Reaction rates and dissolution mechanisms of quartz as a function of pH," J. Phys. Chem. A, v.112, 2008, p. 2027.
S. Nangia, N. M. Washton, K. T. Mueller, J. D. Kubicki, and B. J. Garrison. "Study of a Family of 40 Hydroxylated beta-Cristobalite Surfaces Using Empirical Potential
Energy Functions
," Journal of Physical Chemistry, Part C, v.111, 2007, p. 5169.
CONFERENCE PROCEEDINGS PRODUCED AS A RESULT OF THIS RESEARCH
Bolelli, L; Ertekin, S; Zhou, D; Giles, CL. "K-SVMeans: A hybrid clustering algorithm for multi-type interrelated datasets," in IEEE/WIC/ACM International Conference on Web Intelligence., 2007, p. 198-204.
Liu, Y; Bai, K; Mitra, P; Giles, CL. "TableSeer: Automatic Table Metadata Extraction and Searching in Digital Libraries," in 7th ACM/IEEE Joint Conference on Digital Libraries., 2007, p. 91-100.
Liu, Y; Mitra, P; Giles, CL; Bai, K. "Automatic extraction of table metadata from digital documents," in 6th ACM/IEEE Joint Conference on Digital Libraries (JCDL)., 2006, p. 339-340.
Lu, XN; Mitra, P; Wang, JZ; Giles, CL. "Automatic categorization of figures in scientific documents," in 6th ACM/IEEE Joint Conference on Digital Libraries (JCDL)., 2006, p. 129-138.
Lu, XN; Wang, JZ; Mitra, P; Giles, CL. "Automatic extraction of data from 2-D plots in documents," in 9th International Conference on Document Analysis and Recognition., 2007, p. 188-192.
Tan, QZ; Zhuang, ZM; Mitra, P; Giles, CL. "Efficiently detecting webpage updates using samples," in 7th International Conference on Web Engineering., v.4607, 2007, p. 285-300.
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