Scope

Since its early days, marked by the first atomistic force-field based protein simulation, the field of biomolecular simulations has accomplished formidable progress. The tractable system sizes and simulation times have increased substantially due to progress in hardware but also on the algorithmic side. However, as outlined above, the feasibility of a particular simulation depends on a careful balancing of (i) the level of theory, coarsely speaking from quantum mechanics to molecular mechanics to coarse grained models, and (ii) the time and length scales that are required to model the process of interest.

In order to bridge between the different scales, in order to ultimately reach the time and length scales that are significant for comparison with experiments, a substantial breakthrough of properly hybridizing quantum, molecular, and continuum mechanics has to be achieved. Such computational studies certainly require multi-disciplinary collaboration. Simulation methods with higher accuracy and efficiency are under constant development at various levels of resolution. Together with a rapid growth of computational capacities, it has significantly enlarged the cross-over region of these methods in both time and length scales. In this context, the central goal of the symposium is to share the recent progresses in computational science and stimulate an interdisciplinary exchange of ideas and knowledge transferring from quantum chemistry, classical force field, and other stochastic mesoscopic and macroscopic coarse grains, paving the way towards next-generation effective multiscale models for accurate description of complex biological systems of interest.

With this workshop we want to trigger collaborative research between China and Germany in the field of biomolecular simulations. Participation is upon invitation only.

ORGANIZERS

Senbo Xiao, Norwegian University of Science and Technology
Xia Fei, East China Normal University
Igor Ying Zhang, Fritz Haber Institute Berlin
Carsten Baldauf, Fritz Haber Institute Berlin

IMPORTANT DATES

26. May 2016: Start of the conference
30. May 2016: End of the conference