2000 Midwest Thermodynamics Program

 

 

 

 

 

 


Preliminary Schedule for

sponsored by:
University of Minnesota Supercomputing Institute for
Digital Simulation and Advanced Computation
IBM
National Science Foundation

The Sunday night registration reception will be at the Holiday Inn Metrodome, 1500 Washington Avenue South, Minneapolis. The Monday night reception and banquet will be held at the Weisman Art Museum, 333 East River Road, Minneapolis. The conference sessions, including breaks and lunches, will be held at the Supercomputing Institute for Digital Simulation and Advanced Computation, 1200 Washington Avenue South, Minneapolis.

Sunday, May 14, 2000


5:50 p.m.

Lee Lines shuttle bus arrives at the Days Inn University
 
 
5:55 p.m. Lee Lines shuttle bus departs the Days Inn University for the Holiday Inn Metrodome
 
 
6:00-8:00 p.m.
 
Registration and reception at the Holiday Inn Metrodome
 
 
7:55 p.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
8:00 p.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Days Inn University
 
 

Monday, May 15, 2000


8:05 a.m.

Lee Lines shuttle bus arrives at the Days Inn University
 
 
8:10 a.m. Lee Lines shuttle bus departs the Days Inn University for the Holiday Inn Metrodome
 
 
8:15 a.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
8:20 a.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Supercomputing Institute
 
 
8:25 a.m. Lee Lines shuttle bus arrives at the Supercomputing Institute -- continental breakfast at the Supercomputing Institute
 
 
8:50 a.m. Welcome
 
 
Session I: Phase Equilibria
 
9:00-9:40 a.m. J. Richard Elliott, Jr., University of Akron
The Discrete World of Discontinuous Potential Modeling
 
 
9:40-10:00 a.m. Henning Struchtrup, University of Minnesota
Surface Tension in a Reactive Binary Mixture of Incompressible Fluids
 
 
10:00-10:20 a.m. Chris Lubbers, University of Notre Dame
Experimental Investigations and Thermodynamic EOS Modeling of the Phase Behavior of b-Diketone Chelating Agents and Metal Chelates in Supercritical CO2
 
 
10:20-10:40 a.m. Break
 
 
10:40-11:20 a.m. David T. Wu, Colorado School of Mines
Gibbs Ensemble Monte Carlo for Solids
 
 
11:20-11:40 a.m. Jeff Potoff, University of Minnesota
A New Techinique for the Determination of Partial Charges in Intermolecular Force Fields: Monte Carlo Simulation of Binary Mixtures Containing CO2, N2, and Propane
 
 
11:40-12:00 p.m. Sabre Kais, Purdue University
Finite Size Scaling for Critical Parameters of Simple Diatomic Molecules
 
 
12:00-1:10 p.m. Lunch
 
 
Session II: Adsorption and Transport
 
1:10-1:50 p.m. David L. Tomasko, The Ohio State University
Adsorption of Supercritical Carbon Dioxide on Microporous Materials
 
 
1:50-2:10 p.m. Anastasios Skoulidas, Carnegie Mellon University
Simulation of Adsorption Kinetics of Molecules Entering Micropores
 
 
2:10-2:30 p.m. Marcus Martin, Sandia National Laboratories
Transport of Methane Through Thin Silicalite Membranes: A Dual Control Volume Grand Canonical Molecular Dynamics Study
 
 
2:30-2:50 p.m. Goktug Ahunbay, University of Akron
Transition Kinetics During Escape from the Straight Channels of Silicalite
 
 
2:50-3:10 p.m. Break
 
 
3:10-3:30 p.m. Gaurav Arya, Notre Dame University
Efficient Viscosity Estimation from Molecular Dynamics Simulation via Momentum Impulse Relaxation
 
 
3:30-3:50 p.m. Thomas Ihle, University of Minnesota
Continuous-velocity Lattice-gas Model for Fluid Flow
 
 
3:50-4:10 p.m. Paul R. van Tassel, Wayne State University
Theory and Simulation of Adsorption in a Templated Porous Material
 
 
4:10 p.m. Lee Lines shuttle bus arrives at the Supercomputing Institute
 
 
4:20 p.m. Lee Lines shuttle bus departs from the Supercomputing Institute
 
 
4:25 p.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
4:30 p.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Days Inn University
 
 
6:25 p.m. Lee Lines shuttle bus arrives at the Days Inn University
 
 
6:30 p.m. Lee Lines shuttle bus departs the Days Inn University for the Holiday Inn Metrodome
 
 
6:35 p.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
6:40 p.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Weisman Art Museum
 
 
6:45 p.m. Lee Lines shuttle bus arrives at the Weisman Art Museum
 
 
6:45-9:00 p.m. Reception and banquet at the Weisman Art Museum
 
 
8:55 p.m. Lee Lines shuttle bus arrives at the Weisman Art Museum
 
 
9:00 p.m. Lee Lines shuttle bus departs the Weisman Art Museum for the Holiday Inn Metrodome
 
 
9:05 p.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
9:10 p.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Days Inn University
 
 
9:15 p.m. Lee Lines shuttle bus arrives at the Days Inn University
 
 

Tuesday, May 16, 2000


8:15 a.m.

Lee Lines shuttle bus arrives at the Days Inn University
 
 
8:20 a.m Lee Lines shuttle bus departs the Days Inn University for the Holiday Inn Metrodome
 
 
8:25 a.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
8:30 a.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Supercomputing Institute
 
 
8:35 a.m. Lee Lines shuttle bus arrives at the Supercomputing Institute -- continental breakfast at the Supercomputing Institute
 
 
Session III: Macromolecules and Colloids
 
9:00-9:40 a.m. C.M. Sorensen, Kansas State University
Formation of Nanocrystal Superlattices from Colloidal Solutions
 
 
9:40-10:00 a.m. Upma Sharma, Princeton University
The Role of Electrostatics in the Partitioning Behavior of Proteins into Polymer Gels
 
 
10:00-10:20 a.m. Esam Hamad, King Fahd University of Petroleum and Minerals, Saudi Arabia
Specific Interactions in Polymers: From Protein-Polymer Interactions to Molecular Simulation
 
 
10:20-10:40 a.m. Break
 
 
10:40-11:00 a.m. Karen Tang, University of Minnesota
Excluded Volume in Solvation: Sensitivity of Scaled-Particle Theory to Solvent Size and Density
 
 
11:00-11:20 a.m. Ioannis Karapanagiotis, University of Minnesota
Critical Size of an Indent for Dewetting Polystyrene Films
 
 
11:20-11:40 a.m. Ioulia Rauzina, University of Minnesota
DNA Melting by Mechanical Force
 
 
11:40-12:00 p.m. Jingyu Cui, University of Akron
Using Discontinuous Molecular Dynamics/Thermodynamic Perturbation Theory to Study Variable Well-width for Square-Well Chain Molecules
 
 
12:00-1:00 p.m. Lunch
 
 
Session IV: Biological Systems
 
1:00-1:40 p.m. Christian M. Lastoskie, Michigan State University
Stochastic Modeling of Microbial Chemotaxis
 
 
1:40-2:00 p.m. Riaz Abdulla Jr., Purdue University
Changes in Equilibrium States of Surface-Adsorbed Protein in the HP Model
 
 
2:00-2:20 p.m. Yirong Mo, University of Minnesota
Ab Initio QM/MM Simulation with a Molecular Orbital-Valence Bond Method
 
 
2:20-2:40 p.m. Break
 
 
2:40-3:00 p.m. Rex Lovrien, University of Minnesota
Ligand Uptake for Macromolecules Dependent on the Energetics-Lattice Structure Properties of the Controlling Reference State
 
 
3:00-3:20 p.m. Daumantas Matulis, University of Minnesota
Thermodynamics of Cationic Lipid Binding to DNA by Isothermal Titration Calorimetry. The Roles of Electrostatics and Hydrophobicity
 
 
3:20-3:40 p.m. Yiannis Kaznessis, University of Michigan
Structure and Dynamics of Lung Surfactant Lipid Monolayers
 
 
3:40 p.m. Lee Lines shuttle bus arrives at the Supercomputing Institute
 
 
3:50 p.m. Lee Lines shuttle bus departs from the Supercomputing Institute for the Holiday Inn Metrodome
 
 
3:55 p.m. Lee Lines shuttle bus arrives at the Holiday Inn Metrodome
 
 
4:00 p.m. Lee Lines shuttle bus departs the Holiday Inn Metrodome for the Days Inn University
 
 
4:05 p.m. Lee Lines shuttle bus arrives at the Days Inn University
 
 

Addresses:


Supercomputing Institute

1200 Washington Avenue South
Minneapolis, MN 55415
(612) 625-1818
 
 
Holiday Inn Metrodome 1500 Washington Avenue South
Minneapolis, MN 55454
(612) 334-1309
(612) 338-4049 fax
 
 
Days Inn University 2407 University Avenue SE
Minneapolis, MN 55454
(612) 623-9303
(612) 331-2152 fax
 
 
Weisman Art Museum 333 East River Road
Minneapolis, MN 55455
(612) 625-9494
 
 


URL:  http://www.msi.umn.edu/events/thermo2000/program