Information Technology seminars
MURPA Seminar - Grid Enabled Molecular Science Through Online Networked Environments
- Date and time:
- 11/09/2008, 16:00
- Location:
- Building: 26, Room: 135, Clayton Campus
- Presenters:
- Kim Baldridge, PhD
Director, Integrative Computational Sciences, SDSC
Adjunct Professor, Dept. of Chemistry, UCSD
Prof. of Theoretical Chemistry
University of Zurich
Institute of Organic Chemistry
Winterthurerstrasse 190
CH-8057 Zurich
- Abstract:
- This talk will cover projects we have been working on in the last years to develop cross-platform desktop applications that provide users access to remote scientific web services, with emphasis on computational science applications. In particular, the Gemstone application, built upon the Mozilla foundation codebase is capable of providing a versatile desktop user interface to strongly typed web services for applications running in a distributed cluster computing environment. The user interface enables a user to save and reuse application parameters, with drag/drop capability on multiple platforms. The interface supports server-side dynamic user interface configuration update. First phase GEMSTONE implimentation provides support for applications such as Adaptive Poisson-Boltzmann Solver (APBS), Babel, GAMESS AMBER, SIESTA, a visualization component, GARNET, as well as several small interface tools wrapped as web services. The GEMSTONE application framework provides not only an integrated framework to access grid resources, but also supports scientific exploration, workflow capture and replay, and a dynamic services oriented architecture. Current work is focusing more on support infrastructure for workflows. One outcome of this work has been the generation of an automatic web service wrapper tool, OPAL, which greatly facilitates wrapping of legacy applications as Web services for deployment of applications as Web services. This talk will show these efforts exemplified through research examples.
- Speaker biographies:
- Kim K Baldridge was born 28.1.1960 in North Dakota, USA, where she completed high school in 1978. From 1978 to 1982, she studied Chemistry and Mathematics at the University of Minot, North Dakota, with a minor in physics. This was followed by a Masters Degree in Mathematics from North Dakota State Univeristy, NDSU, North Dakota, 1985.
She received her PhD in Theoretical Chemistry from NDSU in 1988, working with Mark Gordon and Don Truhlar, on QM algorithms for "reaction path following" (GAMESS, Gaussian) and application of QM methods to aromatic constructs. She then spent a year as a postdoctoral researcher at Wesleyan University, Connecticut, USA, with Dave Beveridge, working on hybrid QM/classical methods.
From 1989 ? 2004, Kim Baldridge followed a split career track at the San Diego Supercomputer Center (Director of Integrative Computational Sciences) and University of California, San Diego (full professor, 2001-4). In 2004, she became a Professor of Theoretical and Computational Chemistry in the Organic Chemistry Institute at the University of Zurich, Switzerland, where activities include QM computational methods development and application, and development of high performance and grid computing methods. She received the Agnes Fay Morgan Award (2002), was appointed Fellow of the American Physical Society (2000) and Fellow of the American Association of the Advancement of Sciences (2001). She founded the MGM (12 years) and DCH Symposia (3rd year), each annual symposia.
- For more information, visit:
-
http://www.cmszh.uzh.ch/pages/kim_baldridge.php
- Enquiries:
- Ronald Pose
- Research group website:
-
http://www.infotech.monash.edu.au/about/events/2008/murpa.html
