From: ra_bair@pnl.gov (Raymond A. Bair)
Newsgroups: misc.jobs.offered
Subject: Software R&D Group Leader, Battelle PNL, Richland, WA
Date: 28 Jan 93 03:37:22 GMT
Article-I.D.: oracle.1993Jan28.033722.26345
Distribution: na
Organization: Battelle Pacific Northwest Laboratories
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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.