The general topic of the event is computational methods to study multiphase flows. Such methods are applied in very different disciplines, such as statistical physics, materials science, applied mathematics, and engineering, with applications ranging from geophysical to micro scales. Examples include volcano eruptions, oil recovery, and the dynamics of droplets on structured surfaces (“lotus effect”). The computational approaches to tackle these problems are as disparate as the phenomena themselves and the corresponding scientific communities, which rarely communicate amongst each other. The purpose of this school and workshop is to bring these various practitioners together for a fruitful exchange with the aim of improving the methodological toolbox which is still facing significant problems.

The overarching theme of this proposed E-CAM Transverse Extended Software Development Workshop (ESDW) is the design and control of molecular machines including sensors, enzymes, therapeutics, and transporters built as fusion proteins or nanocarrier-protein complexes, and in particular, the software development and interfacing that this entails. Several immuno-diagnostic companies and molecular biology experimental groups have expressed a strong interest in the projects at the core of this proposal. The proposed ESDW is transverse as it entails the use of methodologies from two E-CAM Scientific Workpackages: WP1 (Advanced MD/rare-events methods) and WP4 (Mesoscale/Multiscale simulation).

The Mesoscopic simulation models and High-Performance Computing ESDW (Extended Software Development Workshop) is organised by CECAM-FI (Aalto University, Finland) in collaboration with the CSC IT Center for Science and will mix three different ingredients: (1) workshop on state-of-the-art challenges in computational science and software, (2) CSC -run school, and (3) coding sessions with the aid of CSC facilities and expertise. The plan is to involve and contact a number of groups in Europe interested in topics where the usage of this methodology is essential and/or current code development / usage is actively going on.