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CIMMS-IPAM Workshop Molecular Modeling and Computation: Perspectives and Challenges
November 15 - 16, 2002 (Friday and Saturday)

Theme | Schedule | Organizing Committee | CIMMS Home

Poster Presentations

The poster boards are 30" x 40", which hold about 9 letter-sized (8.5" x 11") sheets. Presenters should give a summary of their work to fit on 9 letter-sized sheets and should be prepared to discuss their work with interested parties that will be viewing the posters.

Poster sessions will take place during lunch on November 15 and 16, 2002.

Beckman Institute Auditorium
400 S. Wilson Ave,
Room 134
November 15-16, 2002

Schedule

15 NOVEMBER, FRIDAY
Morning Session:
Moderator, Jerrold Marsden, Caltech / CIMMS Director
11:45
POSTER SESSION AND LUNCH
 
 
Andrew Berglund`
FRET Correlation Spectroscopy and Applications to Stochastic Molecular Dynamics

Harish Bhat
Averaged Dynamics via Averaged Lagrangians

Kumar Bobba
New Methods for Reducing the Dimensions of Multiscale Fluid Dynamic Problems

Alfredo Cárdenas and Ron Elber
Molecular Dynamics Simulations of the Folding Kinetics of Cytochrome C: The Role of Non-Native Contacts

John Chodera
Extacting Dynamical Quantities from Parallel Tempering Simulations Using Reweighting Techniques

Razvan Fetecau
Variational collision integrators

Carsten Hartmann
On the Effects of Fast Degrees of Freedom on Macroscopic Dynamical Behaviour

Zhidong Jia and Ben Leimkuhler
A Parallel Multiple Time-Scale Reversible Integrator for Dynamics Simulation

Benjamin Rahn
A Parallel Multiple Time-Scale Reversible Integrator for Dynamics Simulation

Wei Wang
Analysis of a Few Numerical Integration Methods for the Langevin Equation

Marcus Weber
Characterization of Transition States in Conformational Dynamics Using Fuzzy Sets

 
16 NOVEMBER, SATURDAY
Morning Session:
Moderator, Peter Deuflhard, ZIB Director
11:45
POSTER SESSION AND LUNCH
 
 
Danny Barash
On Incorporating Multiple Timestep Methods into Particle Mesh Ewald for Biomolecular Simulations

Matthew Cargo
Discrete Variable Representations Using Incomplete Quadrature Formulas

David Hardy
Multiple Grid Method for Solving the N-Body Problem

Qun Ma and Jesus Izaguirre
Targeted Langevin Stabilization of Molecular Dynamics

Melvin Leok
A Discrete Theory of Connections on Principal Bundles

Florence J. Lin
Geometric Mechanics and Internal Rotation in van der Waals Complexes

Qun Ma, Jesus Izaguirre, and Robert Skeel
Verlet-I/r-RESPA is Limited by Non-Linear Instability

Peter Minary
A Novel Variable Transformation Approach for Enhancing Conformational Sampling in Complex Systems

Matthias Reinsch
Symbols on the Sphere

Matthew West
Discrete Mechanics and Variational Integrators

Kim Wong
Identification of Networks of Coupled Promoting Motion in Enzymatic Reactions via INM Analysis

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