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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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A Microscopic Interpretation of Pump-Probe Vibrational Spectroscopy Using Ab Initio Molecular Dynamics

Dominika Lesnicki1, Marialore Sulpizi1

  • 1Institute of Physics , Johannes Gutenberg University Mainz , Staudingerweg 7 , 55099 Mainz , Germany.

The Journal of Physical Chemistry. B
|May 26, 2018
PubMed
Summary

Excess vibrational energy in water flows heterogeneously. Strong hydrogen bonds facilitate rapid energy transport (200 fs), while weaker networks slow it down significantly.

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