Publications
"Registering the Amica Electronic Structure Code in the Extensible Computational Chemistry Environment," Journal of Computational Chemistry, Volume 26, Issue 3, February 2005, pp. 214-225, Wiley Periodicals, Inc., Robert J. Gdanitz, Gary D. Black, Carina S. Lansing, Bruce J. Palmer, Karen L. Schuchardt
"The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry," In Computational Science - ICCS 2003, International Conference Saint Petersburg Russian Federation, Melbourne, Australia, Proceedings 2660, vol. 81, ed. Sloot, P. M. A., Abramson, D., Bogdanov, A. V., Dongarra, J., pp. 122-131, Springer Verlag, Berlin, Germany, 2003, G.D. Black, K.L. Schuchardt, D.K. Gracio, and B. Palmer (see ICCS 2003 ECCE paper)
"ECCE - A Problem-Solving Environment's Evolution Toward Grid Services and a Web Architecture," Concurrency and Computation: Practice and Experience 14, 1221-1239, 2002, K.L. Schuchardt, B.T. Didier, G.D. Black
"A Web-Based Data Architecture for Problem-Solving Environments: Application of Distributed Authoring and Versioning the Extensible Computational Chemistry Environment," Cluster Computing 5(3), 287-296, 2002, K.L. Schuchardt, J.D. Myers, E.G. Stephan
"Open Data Management Solutions for Problem Solving Environments: Application of Distributed Authoring and Versioning to the Extensible Computational Chemistry Environment," Proceedings of High Performance Distributed Computing-10, 228-238, August 2001, K.L. Schuchardt, J.D. Myers, E.G. Stephan
"Computational Chemistry in the Environmental Molecular Sciences Laboratory," Plenum Publications, Book Chapter in "High Performance Computing," 1999, D.A. Dixon, T.H. Dunning, M. Dupuis, D. F. Feller, D. K. Gracio, R.J. Harrison, J. A. Nichols, K. L. Schuchardt
"Interoperability of DOE Visualization Centers: Technical Issues and Approaches," workshop findings and recommendations, Workshop on Interoperability of DOE Visualization Centers, (Nancy Johnston, et al.)
"The Role of Databases in Support of Computational Chemistry," ACTC96 Conference, Park City, Utah, July, 1996, D. F. Feller, T. L. Keller and D.R. Jones
"Metadata: The Foundation of Effective Experiment Management," In proceeding of the IEEE First Metadata Conference, April 1996, T. L. Keller and D.R. Jones
"Creating a Scientific Environment with AVS/Express," In proceeding of 1995 International Advanced Visual Systems Users and Developers Conference, April 1995, D.R. Jones, E.N. Thornton, G. D. Black, T. L. Keller, K. L. Schuchardt, C. R. Younkin
"Molecular Visualization," In Proceedings of GViz '94 Graphics and Visualization Conference, Richland, WA, September 1994, C. R. Younkin, E. N. Thornton, D.R. Jones
"Theoretical Crystallography with the Advanced Visualization System," In Proceedings of 2nd Annual International AVS User Group Conference, Orlando, Fl., Vol. III, May 1993, C. R. Younkin, E. N. Thornton, D.R. Jones, J. B. Nicholas, and Anthony C. Hess
"The Space Module Tutorial," Distributed at 2nd Annual International AVS User Group Conference, Orlando Fl., May 1993, C. R. Younkin, E. N. Thornton, D.R. Jones, J. B. Nicholas, and Anthony C. Hess