2 papers
physics.chem-ph2025
Two-dimensional electronic spectroscopy in the condensed phase using equivariant transformer accelerated molecular dynamics simulations
Joseph Kelly, Frank Hu, Arianna Damiani +10
Two-dimensional electronic spectroscopy (2DES) provides rich information about how the electronic states of molecules, proteins, and solid-state materials interact with each other…
math.DS2024
Incorporating Memory into Propagation of 1-Electron Reduced Density Matrices
Harish S. Bhat, Hardeep Bassi, Karnamohit Ranka +1
For any linear system with unreduced dynamics governed by invertible propagators, we derive a closed, time-delayed, linear system for a reduced-dimensional quantity of interest. Th…