2011 Annual Meeting

Session: Computational Molecular Science and Engineering Plenary Session

Chair

Clare McCabe, Vanderbilt University

Co-Chair

Kristen Fichthorn, Pennsylvania State University

Presentations

03:15 PM

(580a) Transforming Pharmaceutical Development and Manufacturing with Molecular Computations
Bernhardt L. Trout

03:55 PM

(580b) Elucidating the Shape Selectivity for Polycyclic Aromatic Hydrocarbons In Reversed-Phase Liquid Chromatography
Jake L. Rafferty, Mark R. Schure

04:15 PM

(580c) Integrated Theory and Simulation Approach for Studying Polymer Functionalized Nanoparticles In Polymer Nanocomposites
Arthi Jayaraman, Nitish Nair, Nathaniel Wentzel

04:35 PM

(580d) Algorithms for Partition Function Calculation Applied to Self-Assembly of Patchy Particles
Eric Jankowski

04:55 PM

(580e) Methane Hydrate Nucleation: Choreography and Cadence From Molecular Simulations
David Wu, Matthew R. Walsh, Carolyn A. Koh, E. Dendy Sloan, Amadeu K. Sum

05:15 PM

(580f) Modeling Polymer Self-Assembly for Sub-Lithographic Patterning
Jed W. Pitera, Joy Cheng, Dan Sanders, Greg Doerk, Melia Tijo, Su-Mi Hur