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20212025
most citedTwo-dimensional electronic spectroscopy in the condensed phase using equivariant transformer accelerated molecular dynamics simulations

8 citations · 14 across the 4 of their papers we have counts for

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physics.chem-ph2024

Scalable learning of potentials to predict time-dependent Hartree-Fock dynamics

Harish S. Bhat, Prachi Gupta, Christine M. Isborn

We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltoni…