Recent 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.
Research