Tag Archives: MD

Our Nature Communciations paper – ice-like phonons in liquid water

Our paper, “The hydrogen-bond network of water supports propagating optical phonon-like modes” was published on January 4th in Nature Communications (full open access pdf). A press release about our work has been issued by the Stony Brook Newsroom and picked up by news aggregator Phys.org.

Our work shows that propagating vibrations or phonons can exist in water, just as in ice. The work analyzes both experimental data and the results of extensive molecular dynamics simulations performed with a rigid model (TIP4P/eps), a flexible model (TIP4P/2005f), and an ab-initio based polarizable model (TTM3F). Many of these simulations were performed on the new supercomputing cluster at Stony Brook’s Institute for Advanced Computational Science.

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