Introducing VIKING: the next generation virtual laboratory

At: 14.30
Venue: Room A113 - Scientific and Technological Pole Fabio Ferrari –  Povo 1

• Prof. Ilia Solov'yov - SDU (University of Southern Denmark)

Abstract:
VIKING (Scandinavian Online Kit For Nanoscale Modeling) is a web-based service for automating the workflows that are typical for computational studies in biophysical sciences. VIKING features an intuitive interface tailored for users with different levels of expertise, ranging from experienced researchers to students.
The ultimate goal of VIKING is to guide users through the preparation, execution and analysis of biologically relevant computer simulations that bridge all the relevant biochemical scales, from quantum chemistry to molecular simulations. Usually such simulations require knowledge of different specialized software, run on super computer facilities, which can be a problem for researchers in areas where these skills are not mandatory. Lowering the barrier for HPC-based methods in biophysical research, by providing an easy-to-use platform that combines computational methods and tools, would allow researchers with different backgrounds to benefit from the rapidly expanding field of computational biology, as well as introducing the field to young scientists. The presentation will cover the essentials of VIKING, which is fully accessible at viking.sdu.dk. I will also highlight several examples, where VIKING was successfully used for describing classical and quantum phenomena in supra-molecular systems.