most citedPrediction of Photodynamics of 200 nm Excited Cyclobutanone with Linear Response Electronic Structure and Ab Initio Multiple Spawning

15 citations · 15 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2026

Machine learning the two-electron reduced density matrix in molecules and condensed phases

Jessica A. Martinez B., Bhaskar Rana, Xuecheng Shao +2

Machine learning is rapidly accelerating materials and chemical discovery, but most current models target energies, forces, or selected molecular properties rather than the underly…

physics.chem-ph2024★ 15 cited

Prediction of Photodynamics of 200 nm Excited Cyclobutanone with Linear Response Electronic Structure and Ab Initio Multiple Spawning

Diptarka Hait, Dean Lahana, O. Jonathan Fajen +6

Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of cur…