45 citations · 46 across the 3 of their papers we have counts for
2 papers
quant-ph2024★ 1 cited
Non-adiabatic quantum dynamics with fermionic subspace-expansion algorithms on quantum computers
Anthony Gandon, Alberto Baiardi, Pauline Ollitrault +1
We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This fra…
physics.chem-ph2021★ 45 cited
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A. Grimmel, Miguel Steiner +4
Quantum mechanical methods have been devised for the elucidation and clarification of reaction paths of chemical processes over decades. While they are typically deployed in routin…