Geochemical Society
and
Mineralogical Society of America
Short Course
  
Molecular Modeling Theory
and Applications in the Geosciences

May 19 and 20, 2001 (Saturday and Sunday)
(precedes Goldschmidt Conference)

Hotel Roanoke and Conference Center
Roanoke, Virginia, USA

The course will focus on techniques and applications for modeling a wide variety of problems in mineralogy and geochemistry. Those interested in using molecular modeling in research or understanding papers in computational chemistry should attend.
Organizers
 Randall T. Cygan of Sandia National Laboratories, Albuquerque, New Mexico, USA
James D. Kubicki of Pennsylvania State University, University Park, Pennsylvania, USA

Sponsors
DOE/BES/Chemical Sciences, Geosciences and Biosciences Division, Geoscience Research Program
Molecular Simulations Inc.

Speakers
Randall T. Cygan, Sandia National Laboratories – Overview
Mihali Felipe, Yale University – Reaction mechanisms
Julian D. Gale, Imperial College – Ionic materials and interatomic potentials
Stephen H. Garofalini, Rutgers University – Silicate glasses and surfaces
Gerald V. Gibbs, Virginia Tech – Bonding in molecules and crystals
Andrey G. Kalinichev, University of Illinois – Liquid and supercritical water
James D. Kubicki, Pennsylvania State University – Vibrational spectra
Steve Parker, University of Bath – Lattice and molecular dynamics
Kevin M. Rosso, Pacific Northwest Laboratory – STM on sulfide surfaces
James R. Rustad, Pacific Northwest Laboratory – Iron oxide surfaces
David Sherman, Bristol University – Metal complexation in aqueous solutions
Lars Stixrude, University of Michigan – Mantle and core phases
John A. Tossell, University of Maryland – Calculation of NMR spectra
Yitian Xiao, Exxon Production Research – Petroleum and natural gas

Short Course Schedule
Friday evening May 18

Saturday May 19

Sunday May 20

Short Course Volume
As customary for Geochemical Society and Mineralogical Society of America short courses, a short course volume will be published and will be distributed at the course. The book Molecular Modeling Theory and Applications in the Geosciences includes thirteen chapters authored by the speakers. This volume can be purchased through either society or at the Reviews in Mineralogy and Geochemistry web site after May 2001.
Registration
Registration costs include participation in the short course, course materials, RiMG volume, welcoming reception, refreshments and snacks during session breaks, and two breakfasts and two lunches. Registration does not include lodging, other meals, or transportation costs. Participants should contact the Hotel Roanoke directly to make room reservations at the special rate for the short course and Goldschmidt Conference. Registration forms should be sent (mailed or faxed) to the Geochemical Society by May 1, 2001. Registration forms can be downloaded either as a PDF or a Word file, and then printed. Alternatively, a Word file with form entries can be e-mailed to the business office.
Goldschmidt Conference Session
A session entitled Molecular Modeling in Geochemistry will be scheduled for Monday and Tuesday May 21 and 22, 2001 as part of the Goldschmidt Conference. You are welcome to submit a contributed abstract and participate in the formal meeting.
Useful Links
 Geochemical Society
Mineralogical Society of America
2001 Goldschmidt Conference
U.S. Department of Energy, Office of Science
Lunar and Planetary Institute
Hotel Roanoke and Conference Center
Roanoke Valley Convention and Visitors Bureau

For more information e-mail Randall T. Cygan or James D. Kubicki

Web page last modified on February 15, 2001
This page has been accessed times since 6/30/00.



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