Matthew Borg (PI) and Jason Reese (Co-I) have successfully won £10k (equivalent) funding from an EPSRC Resource Allocation Panel to run large-scale MD simulations on ARCHER, the latest UK National Supercomputer (Tier 1). The project is entitled “Parallel Molecular Dynamics Simulation of Nanoscale Desalination Membranes” and will run for 6 months starting from 1st March 2015. The amount of computing resource allocated to this project is 16MAUs. Checkout the full list of successful applicants here.
The aim of this project is to enable and produce large-scale molecular dynamics (MD) simulations of water within desalination membranes consisting of aligned carbon nanotubes (CNTs). This desalination problem is of great interest because experiments on water flow in CNT membranes have indicated several orders of magnitude of flow enhancement over conventional membranes, which could mean reduced energy costs and environmental impact for future reverse osmosis plants.