State-of-the-art algorithms for Molecular Dynamics

Topics: Molecular Modeling, Biochemistry, Physical Chemistry, Keywords: numerical analysis, high-performance computing, algorithm design, namd, gromacs

Date: /30/ April 2012 /1/2/3/4/ May 2012, Edinburgh, United Kingdom, Europe

Web Site, Contact: gbec [at] epcc.ed.ac.uk (George Beckett)

  

Official Information:

The NAIS Centre will host a meeting to explore the state-of-the-art in algorithms for molecular dynamics. The meeting will include a two-day tutorial, covering advanced molecular simulations in HPC, and a two-day workshop, focusing on:

- algorithmic challenges/ changes that will be required to enable applications on HPC systems;
- and molecular-dynamics applications that require the computing capacity of future-generation HPC systems.

Further information, including details of confirmed speakers and talks, can be found on the NAIS website.