479 Computational Molecular Science and Engineering Forum Plenary Session

Wednesday, October 31, 2012: 12:30 PM
415 (Convention Center )
Description:
Session celebrating the winner of the CoMSEF Early Career Award. Contributions from projects of broad interest to the CoMSEF community are encouraged.

Sponsor:
Computational Molecular Science and Engineering Forum

Chair:
Clare McCabe
Email: c.mccabe@vanderbilt.edu

Co-Chair:
Kristen Fichthorn
Email: fichthorn@psu.edu


12:30 PM
(479a) Engineering Entropy and Order in Nanomaterials Via Molecular Simulation
Fernando Escobedo

1:10 PM
(479b) Nanoparticles in Liquid Crystals, and Liquid Crystals in Nanoparticles
Juan J. DePablo

1:30 PM
(479c) Linking Thermodynamics and Dynamics in Fluids: Re-Emergence of Excess Entropy Scalings for Transport Properties
Thomas M. Truskett

1:50 PM
(479d) Uncovering the Role of Water in Biomolecular Interactions
Amish J. Patel, Patrick Varilly, Sumanth Jamadagni, David Chandler and Shekhar Garde

2:10 PM
(479e) Simple Tests for Whether Simulation Data Is Consistent with the Desired Thermodynamic Ensemble
Michael R. Shirts

2:30 PM
(479f) Computational Spectroscopy of Protein Structure
Yingying Jiang, Serdal Kirmizialtin Sr. and Isaac C. Sanchez
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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