Molecular-Dynamics Simulations of ELIC—a Prokaryotic Homologue of the Nicotinic Acetylcholine Receptor... Journal June, 2009
Experiences and Challenges Scaling PFLOTRAN, a PETSc-based Code for Subsurface Reactive Flow Simulations, Towards the Petasca... Conference Paper May, 2009
A numerical analysis of reaction-diffusion effects on species mixing rates in turbulent premixed methane-air combustion Conference Paper May, 2009
Large Eddy Simulation of Turbulence Chemistry Interactions in Reacting Flows: Experiences on the ORNL NCCS Cray-XT platforms ... Conference Paper May, 2009
Suppression of the dynamic transition in surface water at low hydration levels: a study of water on rutile Journal May, 2009
Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations Journal March, 2009
Sorption Mechanisms of Antibiotic Cephapirin onto Quartz and Feldspar by Raman Spectroscopy... Journal March, 2009
