Event Date/s: From Thursday 10 November 2016 To Friday 11 November 2016
The aim of this workshop is to learn the latest developments of high-throughput molecular dynamics simulations [Doerr et al. 2016], and to give scientists the opportunity to exchange their experiences.
Hands-on session and training will be given using HTMD a powerful programmable environment to prepare, handle, simulate and analyze molecular simulations, and ACEMD a highly efficient, best-in-class graphical processing units (GPUs) centric code for running MD simulations, and its protocols. The high arithmetic performance of recent GPUs offers an important technological advance for molecular dynamics simulations but real benefits are only apparent if thousands of simulations are used, i.e. high-throughput. Environments like HTMD are designed to get the scientist to focus on the science and applications, rather than the technicalities.
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