Workshop Program June 27 – July 1

The workshop will take place at the facilities of Archimedes Center for Modeling, Analysis & Computation (ACMAC) which is located on the first floor of the Students' Center (above the restaurant) at the campus of the University of Crete in Voutes. Please follow the directions provided in the "Travel" tab on how to reach ACMAC.

The program of the workshop can be downloaded here. The book of abstracts of the Talks can be found here and the abstracts of the Posters here.

Monday, June 27, 2011
08:50 – 09:00 Opening Remarks
09:00 – 10:00 Dionisios G. Vlachospdf
University of Delaware
Combinatorial complexity, uncertainty, and emergent behavior in the design of catalytic materials
10:00 – 11:00 Petr Plechacpdf
University of Delaware
Accelerated Monte Carlo methods: Multilevel approximations, coarse-graining and parallel algorithms
11:00 – 11:30 Coffee Break
11:30 – 12:30 Kristen Fichthornpdf
Pennsylvania State University
Accelerated molecular dynamics of Thin–Film epitaxy
12:30 – 14:00 Lunch Break
14:00 – 15:00 Wim Briels
University of Twente
Memory and transient forces in coarse grain simulations of complex polymers
15:00 – 16:00 Grigorios Pavliotispdf
Imperial College
Long time asymptotics for non Markovian Langevin equations
16:00 – 16:30 Coffee Break
16:30 – 17:30 Efthimios Kaxiras
Harvard University
Coarse–grained model of DNA derived from ab–initio results
Tuesday, June 28, 2011
09:00 – 10:00 Yiannis Kaznessispdf
University of Minnesota
Multiscale models in synthetic biology
10:00 – 11:00 Raul Temponepdf
King Abdullah University of Science and Technology
Adaptive weak approximation of reaction processes by a tau–leap method
11:00 – 11:30 Coffee Break
11:30 – 12:30 Tim Schulzepdf
University of Tennessee
Simulation of three–dimensional strained heteroepitaxial growth using kinetic Monte Carlo
12:30 – 14:00 Lunch Break
14:00 – 15:00 Christoph Ortnerpdf
University of Oxford
Consistency of atomistic–to–continuum coupling methods
15:00 – 16:00 Poster Talks (5min each)

Georgios Arampatzispdf
University of Crete
Fractional–step kinetic Monte Carlo algorithms and hierarchical parallelization

Emiliano Brinipdf
Center of Smart Interfaces – TU Darmstadt
Conditional reversible work method for molecular coarse graining applications

Evangelia Kalligiannakipdf
University of Delaware
Multilevel coarse graining Monte Carlo methods for stochastic lattice systems

Jesper Karlsson
King Abdullah University of Science and Technology
Adaptive weak approximation of reaction processes by a tau–leap method

Brian Van Kotenpdf
University of Minnesota–Twin Cities
Blended quasicontinuum energies

Yuko Nagasepdf
Archimedes Center for Modeling, Analysis & Computation (ACMAC)
Minimization problem of Allen Cahn action

Emad Noorizadehpdf
NAIS University of Edinburgh
A quantitative analysis of stochastic isothermal molecular dynamics methods

Yannis Pantazispdf
University of Massachusetts
Controlled–error approximations of surface diffusion of interacting particles with applications to pattern formation

Elena Pulvirentipdf
Universita Roma Tre
Cluster expansion in the canonical ensemble

Anastassia Rissanou
University of Crete
Hierarchical modeling of protein assemblies at multiple length and time scales

Mattias Sandbergpdf
KTH Royal Institute of Technology
Error estimates for molecular dynamics

Phanourios Tamamispdf
University of Cyprus
Self assembly of short peptide sequences from a natural fibrous protein, the adenovirus fiber shaft
16:00 – 18:00 Poster Session and Coffee/Snacks
Wednesday, June 29, 2011
09:00 – 10:00 Yannis Kevrekidis
Princeton University
Coarse–graining the dynamics of and on networks
10:00 – 11:00 Luc Rey–Belletpdf
University of Massachusetts
Game theory and statistical mechanics
11:00 – 11:30 Coffee Break
11:30 – 12:30 Martin Hairerpdf
University of Warwick
Mathematical models of non–equilibrium statistical mechanics
12:30 – 14:00 Lunch Break
14:00 – 15:00 Benedict Leimkuhler
University of Edinburgh
Efficient thermal controls for equilibrium and nonequilibrium simulation
15:00 – 16:00 Mathias Roussetpdf
INRIA
Diffusive limit and variance reduced hybrid simulation of a chemotactic individual model with internal memory variables
16:00 – 16:30 Coffee Break
16:30 – 17:30 Jonathan Mattingly
Duke University
(TBA)
Thursday, June 30, 2011
09:00 – 10:00 Kurt Kremerpdf
Max Planck Institute for Polymer Research
Adaptive resolution simulations towards open systems molecular dynamics simulations
10:00 – 11:00 Tony Leliévrepdf
ENPC
Enhanced sampling through coarse–graining techniques
11:00 – 11:30 Coffee Break
11:30 – 12:30 Abhijit Chatterjee
Indian Institute of Technology Kanpur
New developments in methods for extending the time scales of atomic simulations of rare events
12:30 – 14:00 Lunch Break
14:00 – 15:00 Dimitri Vvedenskyppt movie
Imperial College
Coarse–Grained theory of surface nanostructure formation
15:00 – 16:00 Jonathan Weare
University of Chicago
Some Coarse Graining results in crystal surface relaxation
16:00 – 16:30 Coffee Break
16:30 – 17:30 Mattias Sandbergpdf
KTH Royal Institute of Technology
Phase transition of a thermally driven Allen–Cahn equation, and solution of the associated optimal control problem
Friday, July 1, 2011
09:00 – 10:00 Frederic Legollpdf
ENPC
Effective dynamics for the overdamped Langevin equation
10:00 – 11:00 Dimitrios Tsagkarogiannis
University of Rome Tor Vergata
Interacting particles in the continuum
11:00 – 11:30 Coffee Break
11:30 – 12:30 Vagelis Harmandarisppt
University of Crete
Hierarchical multi–scale modeling of polymers under equilibrium and non–equilibrium conditions, Computational and Mathematical aspects
12:30 – 13:30 Anastasia Papavasilioupdf
University of Crete
Statistical modelling of stochastic systems through rough paths