Workshop II: Multiscale Modeling in Condensed Matter and Materials Sciences
October 17 - 20, 2005
And
Mini-Workshop: Time Acceleration Methods in Atomistic Simulations
October 21 - 22, 2005
Schedule
Program Poster PDFHotel Accommodation and Air Travel
Organizing Committee for Multiscale Modeling in Condensed
Matter and Materials Science Workshop
Peter Kratzer
(Fritz-Haber Institute, Germany)
Christian Ratsch
(UCLA)
Dimitri Vvedensky
(Imperial College, London, UK)
Scientific Background for Multiscale Modeling in Condensed
Matter and Materials Science Workshop
This workshop will focus on current problems in materials sciences that
are pertinent to multi-scale modeling. One example (that is of interest to
the research of the organizers) is modeling and simulation of thin film
growth, where coarse-grained (continuum) models describe the macroscopic
evolution of the morphology, while microscopic calculations (such as
density-functional theory) are indispensable input to these models. Also,
the microscopics are often influences by long-range interactions; one
important example is elasticity, and one needs to understand how continuum
elasticity can be combined with atomistic or continuum simulation methods.
It is the goal to bring together researchers with expertise in different
theoretical approaches that are interested in solving multi-scale problems
in materials science and condensed matter physics.
The main part of the workshop (October 17 - 20, 2005) will be followed by a
mini-workshop on "Time Acceleration Methods in Atomistic Simulation"
(October 21 - 22, 2005). The Organizers strongly encourage attendance at both
workshops.
Organizing Committee for Time Acceleration Methods in
Atomistic Simulations Mini-Workshop
Kristen Fichthorn
(Pennsylvania State University)
Arthur Voter
(Los Alamos National Laboratory)
Scientific Background for Time Acceleration Methods in
Atomistic Simulations Mini-Workshop
A significant challenge in materials sciences and biophysics is achieving
long-time simulations that contain accurate atomic-scale detail. Molecular
dynamics simulations can be based on potential energy surfaces derived from
first principles and yield highly accurate dynamical information. However,
these simulations cannot extend far beyond nanosecond times and often fall
short of the required time scales to understand physical phenomena. In many
condensed matter systems, dynamical evolution occurs via a series of rare
events and a variety of methods,ranging from efficient transition state
searches to kinetic Monte Carlo and accelerated molecular dynamics, have
been proposed to accurately describe systems with rare-event dynamics on the
mesoscale. Efforts are also underway to seamlessly link results of mesoscale
simulations with continuum-based formulations relevant for engineering
design. This mini-workshop will focus on new developments in these methods
and their application to problems in materials and biology. It will
immediately follow Workshop II: Multiscale Modeling in Condensed Matter and
Materials Sciences (October 17 - 20, 2005).
Speakers
Jacques Amar
(University of Toledo)
Jerry Bernholc
(North Carolina State University)
Michael Biehl
(Rijksuniversiteit te Groningen)
Peter Bolhuis
(University of Amsterdam)
Jim Evans
(Iowa State University)
Kristen Fichthorn
(Pennsylvania State University)
Graeme Henkelman
(University of Texas at Austin)
Efthimios (Tim) Kaxiras
(Harvard University)
Yannis Kevrekides
(Princeton University)
Gerhard Klimeck
(Purdue University)
Peter Kratzer
(Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Uzi Landman
(Georgia Institute of Technology)
Jean-Pierre Leburton
(University of Illinois at Urbana-Champaign)
Anupam Madhukar
(University of Southern California)
Chaouqi Misbah
(Centre National de la Recherche Scientifique (CNRS))
Francesco Montalenti
(Università di Milano - Bicocca)
Normand Mousseau
(Université de Montréal)
Bo Persson
(Forschungszentrum Jülich)
Ashwin Ramasubramaniam
(California Institute of Technology)
Christian Ratsch
(UCLA)
Karsten Reuter
(Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Robert Rudd
(Lawrence Livermore National Laboratory)
Peter Smereka
(University of Michigan)
Steve Stuart
(Clemson University)
Jerry Tersoff
(IBM Thomas J. Watson Research Center)
David Tomanek
(Michigan State University)
Blas Uberuaga
(Los Alamos National Laboratory)
Priya Vashishta
(University of Southern California)
Dionisios Vlachos
(University of Delaware)
Peter Voorhees
(Northwestern University)
Arthur F. Voter
(Los Alamos National Laboratory)
Dimitri Vvedensky
(Imperial College)
David Wales
(University of Cambridge)
Sidney Yip
(Massachusetts Institute of Technology)
Contact Us:
Institute for Pure and Applied Mathematics (IPAM)
Attn: MAWS2
460 Portola Plaza
Los Angeles CA 90095-7121
Phone: 310 825-4755
Fax: 310 825-4756
Email: ipam@ucla.edu
Website:
http://www.ipam.ucla.edu/programs/maws2/
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