Stefan Mileschin

Speaking during last week's show at NVIDIA's GPU Technology, Theater, Russell DeVane, a P&G computational chemist, said his team is using Titan, the fastest supercomputer in the U.S., to run simulations down to 50,000-200,000 atoms showing how certain compounds can pass through the skin's protective barrier, while others can't – and others cause significant disruption to the barrier. P&G has its own Tesla GPU-based clusters, which provide speed-ups of four to eight times on applications for molecular dynamics work, such as NAMD and LAMMPS. But it turns to Titan at the Oak Ridge Leadership Computing Facility for much larger-scale efforts.

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