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- Path: sparky!uunet!ogicse!pnl-oracle!fiona.pnl.gov!ra_bair
- From: ra_bair@pnl.gov (Raymond A. Bair)
- Newsgroups: misc.jobs.offered
- Subject: Software R&D Group Leader, Battelle PNL, Richland, WA
- Message-ID: <1993Jan28.033722.26345@oracle.pnl.gov>
- Date: 28 Jan 93 03:37:22 GMT
- Article-I.D.: oracle.1993Jan28.033722.26345
- Sender: news@oracle.pnl.gov
- Distribution: na
- Organization: Battelle Pacific Northwest Laboratories
- Lines: 96
- X-Xxmessage-Id: <A78C966D8001B63F@fiona.pnl.gov>
- X-Xxdate: Wed, 27 Jan 93 03: 43:41 GMT
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-
- January 27, 1993
-
- GRAPHICS, VISUALIZATION, AND KNOWLEDGE SYSTEMS SOFTWARE R&D
- TECHNICAL GROUP LEADER / STAFF SCIENTIST
- BATTELLE PACIFIC NORTHWEST LABORATORIES, RICHLAND, WA
-
- We are seeking a Ph.D. level group leader, and are interested in both
- computer scientists and computational chemists with suitable
- experience and expertise in molecular graphics. This person will
- establish a program of research and development to provide advanced
- molecular science software for graphics and visualization, graphical
- user interfaces, knowledge based assistance, and capabilities to
- integrate these applications with each other, computations, and their
- data. The position requires substantial knowledge of software design,
- computer graphics, computer programming, and molecular simulation
- techniques. A history of significant contributions to the development
- of computer codes for computational science, including extensive
- experience with high performance graphics workstations is mandatory.
-
- SEND RESUME ONLY TO:
- Raymond A. Bair, Ph.D. Email: ra_bair@pnl.gov
- Senior Technical Program Manager
- Theory, Modeling and Simulation
- Molecular Science Research Center
- Pacific Northwest Laboratory
- P.O. Box 999, Mail Stop K1-95
- Richland, WA 99352
- FAX 509-375-6631
-
- BACKGROUND:
-
- This past year the Environmental & Molecular Sciences Laboratory
- (EMSL) Project was awarded to Pacific Northwest Laboratory (PNL). The
- EMSL is the cornerstone for establishing a new world-class research
- capability at PNL. The Molecular Science Research Center (MSRC) has
- the responsibility for designing and equipping the EMSL. The prime
- mission of the EMSL and the associated MSRC research programs is to
- advance scientific knowledge in support of the long-term (30-year)
- mission of the U.S. Department of Energy in environmental restoration
- and waste management. The EMSL will provide the tools needed to
- perform forefront basic research: state-of-the-art equipment,
- computers and laboratories. The integrated, comprehensive capability
- provided by the EMSL will enable scientists to rapidly solve molecular
- problems critical to the development of the new technologies needed to
- restore the environment and dispose of years of accumulated wastes.
-
- The Theory, Modeling and Simulation program is a key component of the
- research activities in the MSRC/EMSL, with 38 staff and postdoctoral
- associates already on board. The computing demands of this research
- program are already substantial and are expected to grow dramatically
- over the next few years. To provide for the computing needs of this
- effort, the Theory, Modeling & Simulation and Computer & Information
- Sciences programs will establish and manage the Molecular Science
- Computing Facility in the Environmental and Molecular Sciences
- Laboratory. The Molecular Science Computing Facility will consist of:
-
- * A High Performance Computing Center for large-scale molecular
- computations and scientific data storage.
-
- * A Graphics & Visualization Laboratory for the analysis of data from
- complex molecular simulations and preparation of presentation
- materials.
-
- * An Experimental Computing Laboratory for evaluation of promising new
- technologies and the development of new software.
-
- The Molecular Science Computing Facility will be phased into full
- operation over the next four years.
-
- To provide the molecular modeling software needed to make full use of
- the computer systems in the Molecular Science Computing Facility, the
- Theory, Modeling & Simulation program contains a research and
- development effort in molecular science software. This effort is
- focused on the development of molecular modeling applications that
- take advantage of emerging computer technologies and advanced computer
- architectures for modeling the complex molecular systems found in the
- environment. The program has established efforts to develop:
-
- * A computational chemistry environment which integrates graphical
- user interfaces for the modeling codes, molecular visualization
- software for data analysis, and databases for data storage, retrieval
- and manipulation.
-
- * A new generation of quantum chemistry, molecular dynamics, and
- chemical dynamics software for modeling molecular processes on
- massively parallel computer systems.
-
- The molecular science software effort contains two groups: a
- Computational Chemistry Environment Group (group leader position
- open), and a High Performance Computing Group. These groups contain
- both computer scientists and chemists, and are also directly supported
- by MSRC computer science research efforts.
-
- We believe that this is an exciting opportunity to advance the role of
- computing in theoretical and computational chemistry, and welcome the
- interest of qualified candidates.
-