Programming quantum systems: modelling chemical reactions using semiconductor quantum dots

Heather M. Hill

Anton Amann

T. M. Rocha Filho, Joaquim José Soares Neto

A. Smirnov, Sergey E. Savel'ev, Lev G. Mourokh +1 more

We propose the use of semiconductor quantum dots for simulating chemical reactions, as electrons are redistributed among such artificial atoms. We show that it is possible to achieve various reaction regimes and obtain different reaction products by varying the speed of voltage changes applied to the gates forming quantum dots. Considering the simplest possible reaction, H 2 +H→H+H 2 , we show how the necessary initial state can be obtained and what voltage pulses should be applied to achieve a desirable final product. Our calculations have been performed using the Pechukas gas approach, which can be extended for more complicated reactions.

Vitaliy Afanasyev, Zheng Keli, Alexei Kulagin +4 more

Suggestion of modifications of finite-dimensional QED models are proposed for interpreting chemical reactions in terms of artificial atoms and molecules on quantum dots placed in optical cavities. Moving both photons and atoms is possible between the cavities. Super dark states of diatomic systems are described, in which the motion of atoms between cavities is impossible due quantum interference. Chemical processes with two level atoms and three level atoms with lambda spectrum are schematically modeled by solving the single quantum master equation with the Lindblad operators of photon leakage from the cavity and influx into it; association and dissociation reactions then differ only in the initial states. An example is given of the optical interpretation of the transition of an electron from atom to atom in terms of the multilevel Tavis-Cummings-Hubbard model with an estimate of the accuracy. Polyatomic chemical reactions are too complex for accurate modeling. Our method of rough interpretation helps to obtain their long-term results, for example, the form of stationary states of reagents, such as dark and super dark states.