Better chemistry through parallel in time algorithms
Monday, March 17, 2014 - 08:30
in Physics & Chemistry
Molecular dynamics simulations often take too long to be practical for simulating chemical processes that occur on long timescales. Scientists DOE's Pacific Northwest National Laboratory, the University of Chicago, and the University of California at San Diego showed that time integration algorithms working in parallel can significantly speed up computationally demanding molecular dynamics simulations, opening new avenues for studying complex, long-lasting processes as diverse as carbon sequestration and energy production and storage.