Job summary/purpose: Design and develop distributed, object-oriented,
scientific information management systems integrating legacy scientific
applications and modern object-oriented scientific applications with object-
oriented DBMS. Create and manage object-oriented software libraries and
toolkits used in the development of user applications that manage very large
scientific information bases.
Representative duties/accountabilities: Research and development of software
for the Environmental and Molecular Sciences Laboratory (EMSL). The work may
include but is not limited to the following areas: scientific data structures,
management of very large databases, object DBMS, object analysis, design, and
programming, distributed computing on massively parallel processor machines, and
graphical user interface development. Successful research and development
enables innovative and productive use of advanced computers and software systems
and achieves recognition among EMSL scientists, collaborators, sponsors, and in
the external peer community. Other representative duties include: written and
oral presentations, written publication of R&D work, and preparation of assigned
reports.
Level of knowledge, skill & education required: MS and three years relevant
experience in software development for scientific or engineering applications or
PhD in Computer Science or related area. Relevant experience and education
beyond the minimums preferred. Strong technical skills in UNIX, and object-
oriented systems, programs, and languages required. Strong technical skills in
Object DBMS, software engineering, large systems design, scientific/engineering
data management systems, and C++ desired. Specific experience with Object
Design. Inc.'s ObjectStore OODBMS is especially desired. Network programming
and experience with Job Queue Management Systems desirable.
SEND RESUME ONLY TO:
Donald R. Jones, Ph.D. Email: dr_jones@pnl.gov
Group Leader - Computational Chemistry Environment
Theory, Modeling and Simulation
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
P.O. Box 999, Mail Stop K1-90
Richland, WA 99352
FAX 509-375-6631
BACKGROUND:
The Environmental Molecular Science Laboratory (EMSL) is the cornerstone for
establishing a new world-class research capability at PNNL. The prime mission
of the EMSL and the associated 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 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 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 year.
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, and a High Performance Computing Group. These
groups contain both computer scientists and chemists.
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.
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