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. Vlachos
University of Delaware
Combinatorial complexity, uncertainty, and emergent behavior in the design of catalytic materials 
10:00 – 11:00 
Petr Plechac
University of Delaware
Accelerated Monte Carlo methods: Multilevel approximations, coarsegraining and parallel algorithms 
11:00 – 11:30 
Coffee Break 
11:30 – 12:30 
Kristen Fichthorn
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 Pavliotis
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 Kaznessis
University of Minnesota
Multiscale models in synthetic biology 
10:00 – 11:00 
Raul Tempone
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 Schulze
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 Ortner
University of Oxford
Consistency of atomistic–to–continuum coupling methods 
15:00 – 16:00 
Poster Talks (5min each)
Georgios Arampatzis
University of Crete
Fractional–step kinetic Monte Carlo algorithms and hierarchical parallelization
Emiliano Brini
Center of Smart Interfaces – TU Darmstadt
Conditional reversible work method for molecular coarse graining applications
Evangelia Kalligiannaki
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 Koten
University of Minnesota–Twin Cities
Blended quasicontinuum energies
Yuko Nagase
Archimedes Center for Modeling, Analysis & Computation (ACMAC)
Minimization problem of Allen Cahn action
Emad Noorizadeh
NAIS University of Edinburgh
A quantitative analysis of stochastic isothermal molecular dynamics methods
Yannis Pantazis
University of Massachusetts
Controlled–error approximations of surface diffusion of interacting particles with applications to pattern formation
Elena Pulvirenti
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 Sandberg
KTH Royal Institute of Technology
Error estimates for molecular dynamics
Phanourios Tamamis
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–Bellet
University of Massachusetts
Game theory and statistical mechanics 
11:00 – 11:30 
Coffee Break 
11:30 – 12:30 
Martin Hairer
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 Rousset
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 Kremer
Max Planck Institute for Polymer Research
Adaptive resolution simulations towards open systems molecular dynamics simulations 
10:00 – 11:00 
Tony Leliévre
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 Vvedensky
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 Sandberg
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 Legoll
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 Harmandaris
University of Crete
Hierarchical multi–scale modeling of polymers under equilibrium and non–equilibrium conditions, Computational and Mathematical aspects 
12:30 – 13:30 
Anastasia Papavasiliou
University of Crete
Statistical modelling of stochastic systems through rough paths 