Supercomputers drive ion transport research

Kinetics of solute transport through nanoporous membranes captured through supercomputer simulations. Advanced path sampling techniques and molecular dynamics simulations performed on XSEDE-allocated Stampede2 system at TACC. Science team identified previously unknown mechanism for ion transport through nanopores, induced charge anisotropy. Research could help make progress in water desalination; decontaminating the environment; better pharmaceuticals, and more.