2011 Annual Meeting

Session: Computational Molecular Science and Engineering Plenary Session

Chair

McCabe, C., Vanderbilt University

Co-Chair

Fichthorn, K., Pennsylvania State University

Presentations

03:15 PM

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

03:55 PM

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

04:15 PM

(580c) Integrated Theory and Simulation Approach for Studying Polymer Functionalized Nanoparticles In Polymer Nanocomposites
Jayaraman, A., Nair, N., Wentzel, N.

04:35 PM

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

04:55 PM

(580e) Methane Hydrate Nucleation: Choreography and Cadence From Molecular Simulations
Wu, D., Walsh, M. R., Koh, C. A., Sloan, E. D., Sum, A. K.

05:15 PM

(580f) Modeling Polymer Self-Assembly for Sub-Lithographic Patterning
Pitera, J. W., Cheng, J., Sanders, D., Doerk, G., Tijo, M., Hur, S.