The study of complex molecular systems through mathematical and computational approaches is an emerging research area due to enormous range of basic scientific problems and technological applications related to such materials. The rigorous from the mathematical point of view, based on statistical mechanics, foundation of simulations can be of significant importance for the prediction of the structure-properties relations of molecular systems.
Our intention is to bring together a small but diverse group of experts working on modeling, analysis and computational aspects of molecular systems, using the workshop also as a mechanism to get together and interact during the stay in Crete. In the realm of statistical mechanics and simulations of molecular systems, we seek intertwined discussions along the following paths:
Theoretical: Modern mathematical approaches based on statistical mechanics, as well as general coarse-graining theories, is a very active interdisciplinary field nowadays.
- Computational: Simulation schemes are required in order to implement these theoretical approaches on various molecular systems.
The above discussions will focus on a variety of problems from simple fluids, polymers, hybrid nanocomposite systems, biomolecular systems, etc.
The workshop is supported by FORTH and will take place in Archimedes Center for Modeling, Analysis and Computation, ACMAC, at the University of Crete, during 16-18 of September.
We plan talks (T) of about 45min + 15min for discussion, short coffee breaks (CB) and longer lunch breaks (LB).