Chemical reaction dynamics: A Bohmian view

Sebastián Fortín, Olímpia Lombardi, Juan Camilo Martínez González

William C. Lewis

1. 1.On applying the quantum theory to a unimolecutar chemical reaction, it is shown that very different results are obtained according as we assume the continuous or discontinuous view of the abso...

Prerna Paliwal, Mikhail Popov, Nanditha Sunil Kumar +1 more

Over the past years, the development of experimental techniques for the coherent manipulation and control of isolated quantum systems has made impressive progress. Such 'quantum-logic' methods are also highly attractive in a chemical context in view of unravelling and controlling the quantum dynamics of molecular collisions and chemical reactions. Quantum technologies have the potential to transform the way chemical dynamics are investigated - by providing highly sensitive methods for state readout and spectroscopy, by opening up new pathways for the quantum-state preparation of molecules and by enabling an improved control of their microscopic behavior on the single-particle level. However, for complex quantum systems like molecules, these techniques are still in their infancy and their considerable potential remains to be unlocked. The aim of the present research program supported by an Advanced Grant of the Swiss National Science Foundation is to merge the fields of quantum science and chemical dynamics by advancing quantum technologies to polyatomic molecular ions and by applying them to the study of ion-molecule collisions and chemical reactions. In this article, we review the salient experimental methods as well as prospects and challenges in the development of molecular quantum technologies and their applications to chemistry.

Dirk, André Deckert

Andrew Tranter, Peter J. Love

Christopher S. Wang, Nicholas Frattini, Benjamin J. Chapman +4 more

Analog quantum simulators, which efficiently represent model systems, have the potential to provide new insight toward naturally occurring phenomena beyond the capabilities of classical computers.Incorporating dissipation as a resource unlocks a wider range of out-of-equilibrium processes such as chemical reactions.Here, we operate a hybrid qubit-oscillator circuit quantum electrodynamics simulator and model nonadiabatic molecular dynamics through a conical intersection.We identify dephasing of the electronic qubit as the mechanism that drives wave-packet branching when the corresponding oscillator undergoes large amplitude motion.Furthermore, we directly observe enhanced branching when the wave-packet passes through the conical intersection.Thus, the forces that influence a chemical reaction can be viewed from the perspective of measurement backaction in quantum mechanics-there is an effective measurement-induced dephasing rate that depends on the position of the wave packet relative to the conical intersection.Our results set the groundwork for more complex simulations of chemical dynamics using quantum simulators, offering deeper insight into the role of dissipation in determining macroscopic quantities of interest such as the quantum yield of a chemical reaction.