Project Grant 2528480

The National Science Foundation Division of Chemistry awarded The Research Foundation For The State University Of New York $600,000 on August 1, 2026, for theoretical research on molecular dynamics initiated by strong laser fields under the Mathematical and Physical Sciences program (CFDA 47.049).

Professor Benjamin G. Levine's group at Stony Brook University will develop theoretical and computational methods to simulate quantum mechanical motions of molecules on ultrafast timescales following excitation by intense laser pulses. The research addresses the challenge of interpreting data from ultrafast laser experiments, particularly those employing very intense pulses. The Levine group will advance ab initio molecular dynamics tools and develop complementary simulation methods that efficiently use realistic simulation datasets in the context of experimental observations. Specific deliverables include theoretical tools to directly simulate ultrafast signals of strong pump-strong probe experiments that generate and probe quantum coherences, and novel tools for modeling fragmentation following strong-field ionization. The research advances the Ehrenfest with collapse to a block approach through post-processing methods for simulating strong-field probes of coherence and incorporating quantum recoherence into experimental signals. These simulation capabilities are essential for quantum technologies that will enable advances in computation, communication, information security, and sensing.

Performance occurs at Stony Brook, New York, with a period of performance from August 1, 2026, through July 31, 2029. The assistance type is a Project Grant.