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Mathematics of Materials and Macromolecules: Multiple Scales, Disorder, and Singularities, September 2004 - June 2005

IMA Workshop:

Atomic Motion to Macroscopic Models: The Problem of Disparate Temporal and Spatial Scales in Matter

April 11-15, 2005

Organizers:

Richard D. James
Department of Aerospace Engineering and Mechanics
University of Minnesota
james@aem.umn.edu
http://www.aem.umn.edu/people/faculty/bio/james.shtml

Mitchell Luskin
School of Mathematics
University of Minnesota
luskin@math.umn.edu
http://www.math.umn.edu/~luskin/

John H. Maddocks
DMA (Mathematics)
EPFL (Swiss Federal Institute of Technology)
john.maddocks@epfl.ch
http://lcvmwww.epfl.ch

Christof Schütte
Mathematics and Computer Science
Freie Universität Berlin
schuette@math.fu-berlin.de
http://www.math.fu-berlin.de/~biocomp

Schedule Participants Program Application Feedback
Abstracts Dining Guide
Materials from Talks Maps
Photo Gallery

This workshop will explore new advances and challenges in modeling and computing for materials and macromolecular systems with multiple time and length scales. Topics to be explored include nonequilibrium statistical mechanics, accelerated molecular dynamics, conformation dynamics, kinetic Monte Carlo, rare events, metastability, and spatial averaging.

WORKSHOP SCHEDULE
Monday Tuesday
MONDAY, APRIL 11
 All talks are in Lecture Hall EE/CS 3-180 unless otherwise noted.
8:30-9:15 Coffee and Registration Reception Room EE/CS 3-176
9:15-9:30
Welcome and Introduction
9:30-10:30 Eric Vanden-Eijnden
New York University 		Transition pathways in complex systems
10:30-11:15
Coffee
11:15-12:15 Ron Elber
Cornell University 		Calculations of activated trajectories with boundary value formulation
12:15-2:30
Lunch
2:30-3:30 Christof Schuette
Freie University Berlin 		Automated model reduction for complex molecular systems
3:45-4:00
Group Photos here 
4:00

IMA Tea and more (with POSTER SESSION)
400 Lind Hall

Antonio DiCarlo
Università degli Studi "Roma Tre" 		Microtwists & nanodefects

Poster:  pdf
Paper:  pdf
Note: This paper is a (slightly corrected) reprint of the paper: A. Di Carlo, M. Monteferrante, P. Podio-Guidugli, V. Sansalone, L. Teresi: How (and why) twisting cycles make individual MWCNTs stiffer. In: Electronic Properties of Synthetic Nanostructures, Proceedings of the XVIII International Winterschool/Euroconference on Electronic Properties of Novel Materials held in Kirchberg, Tirol, Austria (March 6-13, 2004), pp. 355-358 (H. Kuzmany et al., eds.), AIP Conf. Proc. 723, American Institute of Physics, Melville (2004).
Ron Elber
Cornell University		 Computing timescales by milestoning
Ryan S. Elliott
University of Minnesota 		Stability and bifurcation of multilattice crystals undergoing martensitic transformation
Jim Evans
Iowa State University

Atomistic and continuum modeling strategies for homoepitaxial thin film growth

Slides:   pdf
Matthias Kurzke
IMA 		Boundary vortices in thin magnetic films

Poster:  pdf
Igor Mezic
University of California - Santa Barbara 		Dynamics and control of large-scale molecular motion
Alexander Mielke
University of Stuttgart

Macroscopic dynamics in discrete lattices

Poster:  pdf    ps
Mirko Hessel-von Molo
University of Paderborn		 Identification of macroscopic dynamics
Jonathan A. Othmer
California Institute of Technology 		Coarse-grained phenomenological rate laws for nucleic acid hybridization kinetics
Florian Theil
University of Warwick		 Crystallization in two dimensions

Slides:  pdf
TUESDAY, APRIL 12
 All talks are in Lecture Hall EE/CS 3-180 unless otherwise noted.
9:00-9:30 Coffee Reception Room EE/CS 3-176
9:30-10:30 Julie C. Mitchell
University of Wisconsin-Madison

Computer prediction of protein docking and analysis of binding interfaces

Slides:   pdf
10:30-11:15
Coffee
11:15-12:15 Ken A. Dill
 University of California-San Francisco 		Protein folding: A problem in global optimization
12:15-2:30
Lunch
2:30-3:30 Weinan E
Princeton University 		Cauchy-Born rule, generalized Cauchy-Born rule and applications to nanomechanics
WEDNESDAY, APRIL 13
 All talks are in Lecture Hall EE/CS 3-180 unless otherwise noted.
9:00-9:30 Coffee Reception Room EE/CS 3-176
9:30-10:30 Anja Riegert
Max-Planck Institute for the Physics of Complex Systems 		Modeling fast Hamiltonian chaos by suitable stochastic processes
10:30-11:15
Coffee
11:15-12:15 John H. Maddocks
Swiss Federal Institute of Technology Lausanne 		Multi-scale modelling of DNA

Slides:  pdf
12:15-2:30
Lunch Break
2:30-3:30 Alexander Mielke
University of Stuttgart

Macroscopic equations for microscopic dynamics in periodic crystals

Slides:  pdf
THURSDAY, APRIL 14
All talks are in Lecture Hall EE/CS 3-180 unless otherwise noted.
9:00-9:30 Coffee Reception Room EE/CS 3-176
9:30-10:30 Gero Friesecke
University of Warwick and Technical University Munich 		Interatomic 'van der Waals' forces and the Schroedinger equation
10:30-11:15
Coffee
11:15-12:15 Frederic Legoll
University of Minnesota		 Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics
12:15-2:30
Lunch
2:30-3:30 Jim Evans
Iowa State University

From atomic scale ordering to mesoscale spatial patterns in surface reactions: Heterogeneous Coupled Lattice-Gas (HCLG) simulation approach

Slides:   pdf
6:00 Workshop Dinner Kikugawa at Riverplace
43 Main Street SE, Minneapolis
(612) 378-3006
FRIDAY, APRIL 15
 All talks are in Lecture Hall EE/CS 3-180 unless otherwise noted.
9:00-9:30 Coffee Reception Room EE/CS 3-176
9:30-10:30 Giovanni Zanzotto
University of Padua 		Stressed microstructures in M9R-M18R martensites
10:30-11:15
Coffee
11:15-12:15 Claude Le Bris
CERMICS 		Discrete to continuum limit for various microscopic lattices: a static picture
12:15-12:30
Closing remarks
Monday Tuesday

LIST OF CONFIRMED PARTICIPANTS

Name Department Affiliation
Douglas N. Arnold Institute for Mathematics and its Applications University of Minnesota
Donald G. Aronson Institute for Mathematics and its Applications University of Minnesota
Marino Arroyo Mathematica de Catalunya Polytechnic University of Catalunya
Gerard Awanou   University of Minnesota
Maria-Carme Calderer School of Mathematics University of Minnesota
Eric Cances ENPC CERMICS
Qianyong Chen Institute for Mathematics and its Applications University of Minnesota
Ludovica Cecilia Cotta-Ramusino SB-IMB-LCVMM Swiss Federal Institute of Technology at Lausanne (EPFL)
Antonio DeSimone Applied Mathematics SISSA-Italy
Antonio Di Carlo Department of Studies on Structures Universita` degli Studi Roma Tre
Brian DiDonna Institute for Mathematics and its Applications University of Minnesota
Ken A. Dill Department of Pharmaceutical Chemistry University of California - San Francisco
Qiang Du Department of Mathematics Pennsylvania State University
Witold Dzwinel Institute of Computer Science AGH University of Mining & Metallurgy
Weinan E Department of Mathematics & Applied Computational Mathematics Princeton University
Yalchin Efendiev Department of Mathematics Texas A & M University
Ron Elber Department of Computer Science Cornell University
Ryan S. Elliott   University of Michigan
Maria Emelianenko Department of Mathematics Pennsylvania State University
Jim Evans Department of Mathematics Iowa State University
Alexander Fischer Courant Institute of Mathematical Sciences New York University
Gero Friesecke Mathematics Institute University of Warwick
Tim Garoni   University of Minnesota
Eugene C. Gartland Jr. Department of Mathematical Sciences Kent State University
Robert Gulliver School of Mathematics University of Minnesota
Mirko Hessel-von Molo Department of Mathematics University of Paderborn
Viet Ha Hoang Department of Applied Mathematics and Theoretical Physics Cambridge University
Wilhelm Huisinga Institute of Mathematics and Computer Science Free Institute (FU) Berlin
Richard D. James Department of Aerospace Engineering and Mechanics University of Minnesota
Shi Jin Department of Mathematics University of Wisconsin - Madison
Sookyung Joo Institute for Mathematics and its Applications University of Minnesota
Chiu Yen Kao Institute for Mathematics and its Applications University of Minnesota
David Kinderlehrer Department of Mathematics Carnegie Mellon University
Richard Kollar   University of Minnesota
Matthias Kurzke Institute for Mathematics and its Applications University of Minnesota
Claude Le Bris Ecole Nationale des Ponts et Chaussées (ENPC) CERMICS
Frederic Legoll   University of Minnesota
Richard Lehoucq Computational Mathematics and Algorithms Sandia National Laboratories
Benedict Leimkuhler Department of Mathematics and Computer Science University of Leicester
Tony Lelievre CRM University of Montreal
Debra Lewis Institute for Mathematics and its Applications University of Minnesota
Xiantao Li   University of Minnesota
Chun Liu Department of Mathematics Pennsylvania State University
Hailiang Liu Department of Mathematics Iowa State University
Mitchell Luskin School of Mathematics University of Minnesota
John H. Maddocks Institut de Mathématiques Bernoulli Swiss Federal Institute of Technology Lausanne
Igor Mezic Mechanical Engineering University of California - Santa Barbara
Alexander Mielke Research Group PDEs WIAS - Berlin
Julie C. Mitchell Departments of Mathematics and Biochemistry University of Wisconsin - Madison
Sharareh Noorbaloochi Department of Electrical Engineering University of Minnesota
Jonathan A. Othmer Applied & Computational Math Caltech
Peter Palffy-Muhoray Liquid Crystal Institute Kent State University
Peter Philip Institute for Mathematics and its Application University of Minnesota
Petr Plechac Mathematics Institute University of Warwick
Lea Popovic   University of Minnesota
Klaus Regenauer-Lieb Institute of Geosciences Johannes Gutenberg University of Mainz
Weiqing Ren Mathematics department and PACM Princeton University
Maria Reznikoff   University of Bonn
Anja Riegert   Max Planck Institute for the Physics of Complex Sys
Rolf Ryham Department of Mathematics Pennsylvania State University
Arnd Scheel Institute for Mathematics and its Applications University of Minnesota
Christof Schuette Fachbereich Mathematik und Informatik Freie University Berlin
George R Sell School of Math University of Minnesota
Tien-Tsan Shieh Department of Mathematics Indiana University
Suzanne Shontz Department of Computer Science University of Minnesota
Peter J. Sternberg Department of Mathematics Indiana University
Vladimir Sverak Department of Mathematics University of Minnesota
Eugene Terentjev Cavendish Laboratory Cambridge University
Luciano Teresi Mathematical Structures of Materials Physics Universita` degli Studi Roma Tre
Florian Theil Mathematics Institute University of Warwick
Lev Truskinovsky Laboratory of Solid Mechanics Ecole Polytechnique, Palaiseau
Anna Vainchtein Department of Mathematics University of Pittsburgh
Eric Vanden-Eijnden Courant Institute of Mathematical Sciences New York University
Stephen J. Watson ESAM Northwestern University
Guowei Wei Department of Mathematics Michigan State University
Michael Westdickenberg Institute for Applied Mathematics University of Bonn
Baisheng Yan Department of Mathematics Michigan State University
Aaron Nung Kwan Yip Department of Mathematics Purdue University
Giovanni Zanzotto DMSA University of Padua
Wen Zhang   Oak Ridge National Laboratory

 

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