Monday, June 04, 2012 |
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| 10:00am |
Lars Bildsten (KITP Permanent Member) |
Welcome[Podcast][Aud][Cam] |
| 10:15am |
Glenn Fredrickson (UCSB) |
Frontiers of Computational Polymer Field Theory[Slides][Podcast][Aud][Cam] |
| 11:00am |
Mark Tuckerman (NYU) |
Exploring the Free Energy Landscapes of Complex Molecules and Crystalline Polymorphs[Slides][Podcast][Vid][Aud][Cam] |
| 11:45am |
Friederike Schmid (JGU Mainz) |
Linking Scales with Molecular Fields[Slides][Podcast][Aud][Cam] |
| 12:30pm |
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Lunch Break |
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| 2:00pm |
Cameron Abrams (Drexel Univ.) |
Collective-Variable-Enhanced Biomolecular Simulations[Slides][Podcast][Aud][Cam] |
| 2:45pm |
Athanassios Panagiotopoulos (Princeton Univ.) |
Coarse-grained Models for Oligomer-grafted Silica Nanoparticles[Slides][Podcast][Aud][Cam] |
| 3:30pm |
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Afternoon Break |
| 4:00pm |
Gregory Rutledge (MIT) |
Density-Dependent Potentials and their Application to Self- Assembly[Slides][Podcast][Aud][Cam] |
| 4:45pm |
Alexander Lyubartsev (Stockholm Univ.) |
Systematic Coarse-graining of Molecular Models by Inverse Monte Carlo: Theory, Practice and Software[Slides][Podcast][Aud][Cam] |
| 5:30pm |
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SHUTTLE TO BWSCI |
Tuesday, June 05, 2012 |
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| 9:00am |
Christoph Dellago (Univ. Vienna) |
Challenges in the Simulation of Nucleation Processes: From Transition Pathways to Reaction Coordinates[Slides][Podcast][Aud][Cam] |
| 9:45am |
Christoph Junghans (Los Alamos National Lab) |
Towards a Unified Framework for Coarse-graining Particle-based Simulations [Slides][Podcast][Aud][Cam] |
| 10:30am |
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Morning Break |
| 11:00am |
Petros Koumoutsakos (ETH Zürich) |
Multiscale Simulations using Particles[Slides][Podcast][Aud][Cam] |
| 11:45am |
Matej Praprotnik (Nat'l Inst. of Chem., Slovenia) |
Coupling Atomistic and Continuum Hydrodynamics[Slides][Podcast][Aud][Cam] |
| 12:30pm |
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Lunch Break |
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| 2:00pm |
Xin Zhou (GU-CAS) |
Hierarchical Metastable States and Kinetic Transition Networks in Proteins: Trajectory Mapping and Clustering[Slides][Podcast][Aud][Cam] |
| 2:45pm |
M. Scott Shell (UCSB) |
An Information-based Approach to Coarse-grained Models in Molecular Biophysics[Slides][Podcast][Aud][Cam] |
| 3:30pm |
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Afternoon Break |
| 4:00pm |
Christof Schütte (Freie Univ. Berlin) |
Coarse Graining via Markov State Models[Podcast][Aud][Cam] |
| 4:45pm |
Tom Mason (UCLA) |
Entropic Phase Behavior of Hard Regular Polygons |
| 5:30pm |
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RECEPTION |
| 6:00pm |
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SPECIAL EVENTS DINNER |
| 8:00pm |
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SHUTTLE TO BWSCI |
Wednesday, June 06, 2012 |
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Morning Session, Chair: Michael Rubinstein (UNC, Chapel Hill)
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| 9:00am |
Markus Deserno (Carnegie Mellon Univ.) |
A Novel Coarse-grained Force Field for Unbiased Protein- Membrane Simulations[Slides][Podcast][Aud][Cam] |
| 9:45am |
Sarah Keller (Univ. Washington) |
Experimental Observations of Lipid Membranes in (roughly) 2D Influenced by Bulk Water in 3D[Slides][Podcast][Aud][Cam] |
| 10:30am |
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Morning Break |
| 11:00am |
Axel Voigt (TU Dresden) |
Cell Motility - A Continuum Modeling Approach[Slides][Podcast][Aud][Cam] |
| 11:45am |
Joan-Emma Shea (UCSB) |
Simulations of Protein Aggregation[Podcast][Aud][Cam] |
| 1:15pm |
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Lunch Break |
Thursday, June 07, 2012 |
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| 9:00am |
Ronald Miller (Carleton Univ.) |
Modeling the Solid State with Coupled Atomistic/Continuum Methods: An Overview of Recent Developments[Slides][Podcast][Aud][Cam] |
| 9:45am |
Mitchell Luskin (Univ. Minnesota) |
Theory and Computation of Parallel Replica Dynamics[Slides][Podcast][Aud][Cam] |
| 10:30am |
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Morning Break |
| 11:00am |
Masao Doi (Toyota Research Inst.) |
Dynamical Coarse Graining - Principle and Applications[Slides][Podcast][Aud][Cam] |
| 11:45am |
Peter Gumbsch (IWM Fraunhofer) |
Transferability of Interatomic Potentials in Strong Solids - What Properties Can Actually Be Represented[Podcast][Aud][Cam] |
| 12:30pm |
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Lunch Break |
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| 2:00pm |
William Noid (Penn State Univ.) |
Coarse-graining Entropy, Forces, and Structure[Slides][Podcast][Aud][Cam] |
| 2:45pm |
Christine Peter (MPI-P) |
Transferability of Coarse Grained Models: Multiscale Simulations of Liquid Crystalline Phase Transitions[Slides][Podcast][Aud][Cam] |
| 3:30pm |
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Afternoon Break |
| 4:00pm |
John Crocker (UPenn) |
Binary Colloidal Crystals Using DNA Handshaking Interactions[Slides][Podcast][Aud][Cam] |
| 4:45pm |
Megan Valentine (UCSB) |
Microrheology of Entangled and Crosslinked Microtubule Networks[Podcast][Aud][Cam] |
| 5:30pm |
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RECEPTION |
| 6:00pm |
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SPECIAL EVENTS DINNER |
| 8:00pm |
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SHUTTLE TO BWSCI |
Friday, June 08, 2012 |
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Morning Session, Chair: Gary Grest (Sandia Nat'l Labs)
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| 9:00am |
Ryoichi Yamamoto (Kyoto Univ.) |
Multiscale Simulations for Polymeric Flow: MD/CFD Hybrid Modeling[Slides][Podcast][Aud][Cam] |
| 9:45am |
Mark Wilson (Durham Univ.) |
Modeling Allosteric Signaling in Protein Homodimers[Slides][Podcast][Aud][Cam] |
| 10:30am |
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Morning Break |
| 11:00am |
Hans Andersen (Stanford Univ.) |
Algorithms and Principles for Multiscale Coarse-Graining[Slides][Podcast][Aud][Cam] |
| 11:45am |
Anna Balazs (Univ. Pittsburgh) |
Modeling the Interaction of Active Cilia with Species in Solution: From Chemical Reagents to Microscopic Particles[Slides][Podcast][Vid][Aud][Cam] |
| 12:30pm |
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Lunch Break |
| 2:30pm |
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CONFERENCE END |
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Schedule |
Program Page