Preliminary Program subject to change
01G03 Computational Modeling of Surfaces and Surface Phenomena
OverviewThis session will focus on the use of computational chemistry to model surface phenomena.
Primary SponsorLow Pressure (01g)
Co-Sponsor(s)Catalysis and Reaction Engineering Division (20)

Chair

Gyeong S. Hwang
Assistant Professor
University of Texas at Austin
1 University Station C0400
Austin, TX 78712
Phone Number: (512) 471-4847
Fax Number: (512) 471-7060
Email: gshwang@che.utexas.edu

CoChair

Aravind R. Asthagiri
Assistant Professor
Chemical Engineering
University of Florida
Gainesville, FL 32611-6005
Phone Number: 352-392-0868
Fax Number: 352-392-9513
Email: aasthagiri@che.ufl.edu
Chiral Adsorption on Cu Surfaces
David S. Sholl1, Rees B. Rankin2, Bhawna Bhatia2 and Joanna James2, (1)Carnegie Mellon University, Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, (2)Dept. of Chemical Engineering, Carnegie Mellon University, Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213
Development of the Oxygen Reduction Reaction Mechanism on Pt(111) Using Dft
Matthew P. Hyman and Will Medlin, Department of Chemical and Biological Engineering, University of Colorado, UCB 424, ECCH 111, Boulder, CO 80309
The Growth of Thin Metal Films on Polar Metal Oxides Surfaces: Insights from First-Principles Calculations
Aravind R. Asthagiri, Chemical Engineering, University of Florida, 427 ChE Bldg, PO Box 116005, Gainesville, FL 32611
Strong Repulsive Forces between Protein and Phosphocholine Self-Assembled Monolayers - a Molecular Simulation Study
Yi He, University of Washington, UNIVERSITY OF WASHINGTON, Department of chemical engineering, 241 Benson Hall, Seattle, WA 98195-1750, Jason C. Hower, University of Washington, Chemical Engineering, Seattle, WA 98195, Jie Zheng, University of Washington, Benson352, Dept. of Chemical Engineering, University of Washington, Seattle, WA 98195, Shengfu Chen, Chemical Engineering, University of Washington, Benson Hall, Box 351750, Seattle, WA 98195-1750 and Shaoyi Jiang, Department of Chemical Engineering, University of Washington, Chemical Engineering, Seattle, WA 98195
Effects of the Combined Action of Electric Fields and Mechanical Stresses on the Morphological Stability of Solid Surfaces
Vivek Tomar, M. Rauf Gungor and Dimitrios Maroudas, Department of Chemical Engineering, University of Massachusetts, 159 Goessmann Laboratory, North Pleasant Street, Amherst, MA 01003
Ab Initio Phase Diagrams for Water Adsorbed on Monoclinic Hfo2
Atashi Mukhopadhyay, Chemical Engineering, Stanford University, 380 Roth Way, Stanford, CA 94305-5025, Javier Fdez. Sanz, Physical Chemistry, Universidad de Sevilla, Sevilla, Spain and Charles B. Musgrave, Stanford University, Dept. of Chemical Engineering, Stanford, CA 94305-5025
Molecular Simulation Study of Nanoscale Friction between Phosphocholine Self-Assembled Monolayer Surfaces Immersed in Ionic Solution
Yi He, University of Washington, UNIVERSITY OF WASHINGTON, Department of chemical engineering, 241 Benson Hall, Seattle, WA 98195-1750, Shengfu Chen, University of Washington, Chemical Engineering/Box 351750, Seattle, WA 98195-1750 and Shaoyi Jiang, Department of Chemical Engineering, University of Washington, Seattle, WA

Engineering Sciences and Fundamentals