Coulomb explosion imaging of molecular geometries

POSTER

Abstract

We report the retrieval of real-space molecular geometries from multi-coincidence Coulomb explosion imaging measurements of 1,2-dichloroethylene C2H2Cl2 exposed to intense laser fields [1]. Molecular geometries are reconstructed using a neural network model trained on Coulomb explosion observables generated from ab initio molecular dynamics simulations. The retrieved geometry distributions are in good agreement with experimental data, providing a new tool for studying molecular dynamics in real space.

*Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy under Awards No. DE-FG02-86ER13491, by the National Science Foundation grant no. PHYS-2409365 (A.S.V), and by a GRIPex award from Kansas State University.

Publication: [1] Van-Hung Hoang, Anbu Selvam Venkatachalam, Daniel Rolles, Artem Rudenko, Uwe Thumm, and Huynh Van Sa Lam, in preparation.

Presenters

  • Daniel Rolles

    • Kansas State University

Authors

  • Hung V Hoang

    • Kansas State University
  • Anbu Selvam Venkatachalam

    • Kansas State University
  • Daniel Rolles

    • Kansas State University
  • Artem Rudenko

    • Kansas State University
  • Uwe Thumm

    • Kansas State University
  • Huynh Van Sa Lam

    • Kansas State University