NMSU - Department of Chemisty and Biochemistry

DAVID E. SMITH

Associate Professor

Colorado College, CO BA 1984
University of California, Berkeley, CA Ph.D. 1989
Molecular Science Research Center,

Battelle, PNL, Richland, WA PostDoc 1992-1994
University of Sydney, Australia PostDoc 1991-1992
University of Utah, Salt Lake City, UT PostDoc 1989-1991

davsmith@nmsu.edu
(505)-646-5210

Water plays a fundamental role not only in chemistry, but also in biology, geology, and the environment. Dr. Smith's research program involves investigations of the molecular behavior of aqueous systems through the use of computer simulations. Specific research projects include the development and testing of simulation models for water and aqueous solutions, and the application of these models to study ionic solutions and ion binding to hydrated clays.

Details of the hydrated clay research may be found here:

http://www.doe.gov/em52/54823.html

SELECTED PUBLICATIONS:

Computing Hydrophobicity
Lipkowitz, K.B.; Larter, R.; and Cundari, T.R., editors
a book chapter (pp. 43-77) in REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL. 19

Simulations of clay mineral swelling and hydration: Dependence upon interlayer ion size and charge;
Young DA, Smith DE;
JOURNAL OF PHYSICAL CHEMISTRY B v. 104(#39) pp. 9163-9170 OCT 5, 2000.
Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling;
Shroll RM, Smith DE;
JOURNAL OF CHEMICAL PHYSICS v. 111(#19) pp. 9025-9033 NOV 15, 1999.
Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling;
Shroll RM, Smith DE;
JOURNAL OF CHEMICAL PHYSICS v. 110(#17) pp. 8295-8302 MAY 1, 1999.
Molecular computer simulations of the swelling properties and interlayer structure of cesium montmorillonite;
Smith DE;
LANGMUIR v. 14(#20) pp. 5959-5967 SEP 29, 1998.