145 In Honor of Keith Gubbins' 75th Birthday III: Fundamentals & Model Development

Monday, October 29, 2012: 3:15 PM
412 (Convention Center )
Description:
This is a special session honoring the 75th birthday of Professor Keith E. Gubbins. Submission to this session is by invitation only.

Sponsor:
Thermodynamics and Transport Properties
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Karl Johnson
Email: karlj@pitt.edu

Co-Chair:
Francisco R. Hung
Email: frhung@lsu.edu


3:15 PM
Introductory Remarks

3:25 PM
(145a) New Directions for Entropic Forces in Hard Particle Fluids
Sharon C. Glotzer

3:45 PM
(145b) A Pseudo-Quantum Description of Classical Vacancy Diffusion in Crystals
Giovanni Ciccotti, Simone Meloni, Pierre-Antoine Geslin and Eric Vanden-Eijnden

4:05 PM
(145c) 2-Component Van Der Waals EoS and the Second Osmotic Virial Coefficient
Benjamin Widom

4:25 PM
(145d) Extending the Capabilities of Molecular-Based Equations of State: Simultaneous Calculations of Phase Equilibria and Transport Properties
Felix Llovell, Rosa Marcos and Lourdes F. Vega

4:45 PM
(145e) Property Prediction with Analogous Series: A Continuum View of Discrete Molecular Entities
Brian K. Peterson

5:05 PM
(145f) SAFT-γ Coarse Grained Models for the Molecular Simulation of Complex Fluids with a Top-Down Methodology
Carlos Avendano, Thomas Lafitte, Vassilis Papaionannou, Olga Lobanova, Claire Adjiman, Amparo Galindo, Erich A. Muller and George Jackson

5:25 PM
(145g) Novel Nanoporous Materials: In Silico Design
Coray M. Colina
See more of this Group/Topical: Engineering Sciences and Fundamentals
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