247 Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)

Monday, November 9, 2015: 6:00 PM - 8:00 PM
Exhibit Hall 1 (Salt Palace Convention Center)

COMSEF Poster session

Computational Molecular Science and Engineering Forum
Young Professionals Committee (YPC) (18C)
Jeffrey R. Errington Email: jerring@buffalo.edu
Lev D. Gelb Email: lev.gelb@utdallas.edu
- indicates paper has an Extended Abstract file available on CD.

(247a) Oxidative Coupling of Methane: Descriptors for Activity and Selectivity
Gaurav Kumar, Sai Lap Jacky Lau and Michael J. Janik

(247aa) Microscopic Diffusion of CO2 in Clay Nanopores
Hassan AlJama, Chun-Yaung Lu and Jennifer Wilcox

(247al) Still Looking for the Magic Spot: Dispersing Modified Fe2O3 in Lamellar PS-PMMA Diblock Copolymer By Vapor-Annealing Deposition
Paola Posocco, Yasmin Mohamed, Irati Barandiaran, Marina Zweyer, Giovanna Baldini, Erik Laurini, Maurizio Fermeglia, Galder Kortaberria and Sabrina Pricl

(247g) Exploring of the Pre-Polymerization Coordination of 1-Vinylimidazole
J. Ryan Hamilton, Asghar Abedini, C. Heath Turner, John W. Whitley and Jason E. Bara

(247j) Insight into Selective Catalytic Reduction on Cu-SSZ-13 from Molecular Simulation
Christopher Paolucci, Atish A. Parekh, Ishant Khurana, John R. Di Iorio, Hui Li, Trunojoyo Anggara, W.N. Delgass, Jeffrey T. Miller, Rajamani Gounder, Fabio H. Ribeiro and William F. Schneider

(247l) Molecular Modeling of Homogeneous Nucleation of [Bmim+][Cl-] from the Melt
Yan Shen, Xiaoxia He, Francisco R. Hung and Erik E. Santiso

(247r) Molecular Simulation of the Partitioning Phenomena of Oil and Dispersant Components in Air-Seawater-Oil System
Zenghui Zhang, Thilanga Liyana-Arachchi, Paria Avij, Kalliat T. Valsaraj, Jennifer Field and Francisco R. Hung

(247t) Reaxff Reactive Molecular Dynamics Simulations with Explicit Electrons and Applications to Battery Interfaces
Md Mahbubul Islam, Grigory Kolesov, Efthimios Kaxiras and Adri C. T. van Duin