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Updated: Jun 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices

Chris Avanessian1, Yuchen Wang1, David R Yarkony1

  • 1Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States.

The Journal of Physical Chemistry Letters
|September 20, 2024
PubMed
Summary

External laser fields dramatically alter ammonia photodissociation pathways by creating light-induced conical intersections. This light-dipole interaction significantly changes the branching ratio of ground and excited state NH2, highlighting nonadiabatic effects.

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