个人简介

B.A., Colorado College, CO 1984 Ph.D., University of California, Berkeley, CA 1989 Postdoctoral, Molecular Science Research Center, Battelle, PNL, Richland, WA 1994 Postdoctoral, University of Sydney, Australia 1992 Postdoctoral, University of Utah, Salt Lake City, UT 1991

研究领域

Physical Chemistry

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.

近期论文

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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.