Blue Waters Webinars

VIKING: Scandinavian Online Kit For Nanoscale Modeling

Presenter Ilia Solov'yov Associate Professor at the Department of Physics, Chemistry and Pharmacy University of Southern Denmark

Abstract

VIKING (Scandinavian Online Kit For Nanoscale Modeling) is an online service for automating the workflows that are typical for computational studies in biomedical sciences. It is developed in the Quantum Biology and Computational Physics group at the University of Southern Denmark (SDU). The ultimate goal of VIKING is to provide a convenient web-based interface suitable for users with different levels of expertise. VIKING enables intuitive and guided preparation, execution and analysis of multiscale simulations bridging together all the scales in biochemical simulations that span from quantum chemistry to atomistic molecular simulations, and beyond. Normally, such simulations are performed by different software programs on HPC resources. As a result, the entire process requires researcher to have good knowledge of HPC practices as well as specifics of the employed simulation and analysis tools. VIKING aims to lower the barrier of entry to HPC-based methods in biochemical and biomedical research by providing an easy-to-use platform-independent frontend for a range of computational methods and tools, available through the web browser.

Session details

When: 10:00 CST, June 28, 2017

Length of session: 45–60 min.

Target audience: Students and researchers in biophysics and biochemistry, scientific developers. The session will benefit those with an interest in biomedical and biophysical computational methods.

Prerequisites: None.

User Base: VIKING is in its final stage of development. The envisioned number of potentially interested users is could thus be estimated to range from 10,000 to 100,000

Software Availability: Currently under development. Access can be granted on individual basis. See http://viking.sdu.dk

Software Requirements: None