Session: Computational Molecular Science and Engineering Forum Plenary Session (2012 Annual Meeting)

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
Professor
Vanderbilt University
Chemical and Biomolecular Engineering
PMB 351604
Nashville, TN 37235-1604
Phone Number: 615 322 6853
Email: c.mccabe@vanderbilt.edu

Co-Chair:

Kristen Fichthorn
Professor
Pennsylvania State University
Dept. of Chemical Engineering
University Park, PA 16802-4400
Email: fichthorn@psu.edu

Papers:

479a

Engineering Entropy and Order in Nanomaterials Via Molecular Simulation
Fernando Escobedo, Cornell University

479b

Nanoparticles in Liquid Crystals, and Liquid Crystals in Nanoparticles
Juan J. DePablo, University of Chicago

479c

Linking Thermodynamics and Dynamics in Fluids: Re-Emergence of Excess Entropy Scalings for Transport Properties
Thomas M. Truskett, The University of Texas at Austin

479d

Uncovering the Role of Water in Biomolecular Interactions
Amish J. Patel, Rensselaer Polytechnic Institute; Patrick Varilly, University of California, Berkeley; Sumanth Jamadagni, Rensselaer Polytechnic Institute; David Chandler, University of California, Berkeley; Shekhar Garde, Rensselaer Polytechnic Institute

479e

Simple Tests for Whether Simulation Data Is Consistent with the Desired Thermodynamic Ensemble
Michael R. Shirts, University of Virginia

479f

Computational Spectroscopy of Protein Structure
Yingying Jiang, University of Texas at Austin; Serdal Kirmizialtin Sr., University of Texas at Austin; Isaac C. Sanchez, University of Texas at Austin

See more of this Group/Topical: Computational Molecular Science and Engineering Forum

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