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MOLECULAR-DYNAMICS-NEWS  2001

MOLECULAR-DYNAMICS-NEWS 2001

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Subject:

post-doc opportunity

From:

Kirk Peterson <[log in to unmask]>

Reply-To:

Kirk Peterson <[log in to unmask]>

Date:

Wed, 19 Sep 2001 22:49:00 -0700

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (57 lines)

A postdoctoral position is available at Washington State University in
Richland, WA in the research group of Prof. Kirk Peterson.  The
candidate will be sponsored through WSU, but the research will be
carried out at the Environmental Molecular Sciences Laboratory at the
Pacific Northwest National Laboratory in Richland.  The general area of
research involves the study of mercury with various reactive halogens,
e.g., Hg + BrO, which is of strong interest for the fate of tropospheric
mercury during the Arctic spring.

Overall, the project will involve the initial ab initio calculation of
accurate, large-scale ground and excited state potential energy surfaces
of triatomic systems containing mercury and the halogens Cl, Br, and
perhaps I.  Thermochemistry, spectroscopic properties, reaction barrier
heights, etc. are of particular interest with the accurate inclusion of
relativistic effects, both scalar and spin-orbit.  These surfaces will
then be used in subsequent dynamical studies involving either
quasiclassical or quantum dynamics calculations on these (coupled)
potential energy surfaces for the elucidation of both thermal reaction
rates and state-to-state dynamics.  The latter calculations may be
carried out in collaboration with various domestic and international
research groups.  Opportunities exist for involvement in any of these
areas.

Further information, including other research activities in the group
and lists of recent publications, can be found at:
http://www.tricity.wsu.edu/~kipeters/ or by emailing me at
[log in to unmask]

Candidates should have strong interests in the application of accurate
electronic structure methods or reaction dynamics (or both).  In the
former case, prior experience with relativistic methods, particularly
spin-orbit interactions or 4-component techniques, would be desirable.

Please send an application, consisting of a curriculum vitae, brief
statement of research interests and experience, and two or more letters
of recommendation to:

Kirk A. Peterson
Department of Chemistry
Washington St. University
2710 University Dr.
Richland, WA 99352
--

------------------------------------------------------------------------------
Kirk A. Peterson
Associate Professor              Affiliate Senior Research Scientist
Department of Chemistry     &    Theory, Modeling, and Simulation
2710 University Dr.              Environmental Molecular Sciences Laboratory
Washington State University      Pacific Northwest National Laboratory
Richland, WA 99352               P.O. Box 999, Mail Stop K8-91

Office: (509) 376-2023, (509) 372-7282
Fax:    (509) 376-0420
[log in to unmask]
http://www.tricity.wsu.edu/~kipeters/

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