Bulletin of the American Physical Society
54th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Volume 68, Number 7
Monday–Friday, June 5–9, 2023; Spokane, Washington
Session X05: Time-Resolved Studies with Advanced Light Facilities
8:00 AM–9:54 AM,
Friday, June 9, 2023
Room: 205
Chair: Ruaridh Forbes, SLAC National Accelerator Laboratory
Abstract: X05.00004 : Synthetic data-driven machine learning for multi-dimensional spectroscopy of molecules
8:54 AM–9:06 AM
Presenter:
Jan M Rost
(Max Planck Institute for the Physics of Complex Systems)
Authors:
Sajal K Giri
(Northwestern University)
Ulf Saalmann
(Max Planck Institute for the Physics of Complex Systems)
Jan M Rost
(Max Planck Institute for the Physics of Complex Systems)
Here, we investigate, to which extent it is possible to construct the dynamics of a system from measured spectra. In order to identify the network performance, range, and class of systems covered by SHM, here, we consider the setting of multi-dimensional spectroscopy for molecules. To this end, we reconstruct the SHM from the nonlinear spectra using a convolutional neural network where the training is performed with the spectra from synthetic systems and address the transferability of the trained network for the application in real molecular systems through the calculation of dynamics not known to the network, e.g., the ringing of its time-dependent dipole.
[1] Giri, Saalmann and Rost, PRL 124, 113201 (2020).
[2] Giri, Saalmann and Rost, Faraday Discuss. 228, 502 (2021)
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