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Publications
Proceedings
2012 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Computational Molecular Science and Engineering Forum Plenary Session
2012 AIChE Annual Meeting
Session: Computational Molecular Science and Engineering Forum Plenary Session
Chair
McCabe, C.
, Vanderbilt University
Co-Chair
Fichthorn, K.
, Pennsylvania State University
Presentations
12:30 PM
(479a) Engineering Entropy and Order in Nanomaterials Via Molecular Simulation
01:10 PM
(479b) Nanoparticles in Liquid Crystals, and Liquid Crystals in Nanoparticles
01:30 PM
(479c) Linking Thermodynamics and Dynamics in Fluids: Re-Emergence of Excess Entropy Scalings for Transport Properties
01:50 PM
(479d) Uncovering the Role of Water in Biomolecular Interactions
02:10 PM
(479e) Simple Tests for Whether Simulation Data Is Consistent with the Desired Thermodynamic Ensemble
02:30 PM
(479f) Computational Spectroscopy of Protein Structure
