相关论文: Reaction operators for spin-selective chemical rea…

Since the 1970s, spin-selective reactions of radical pairs have been modelled theoretically by adding phenomenological rate equations to the quantum mechanical equation of motion of the radical pair spin density matrix. Here, using a…

In his Comment on a recent paper by two of us Kominis claims that the recently proposed quantum measurement model for spin-selective reactions of radical pairs leads to ambiguous predictions in a simple case. Here we show that this claim is…

In theories of spin-dependent radical pair reactions, the time evolution of the radical pair, including the effect of the chemical kinetics, is described by a master equation in the Liouville formalism. For the description of the chemical…

Recently, spin-selective radical pair reactions have been studied using concepts from quantum measurement theory. In this Article, we show that the approach taken by Kominis (Physical Review E, 83, 2011, 056118) leads to erroneous results…

The so-called "phenomenological" kinetic equation for one-pair density operator for spin-selective reactions is defended. We derive this equation from the kinetic equation for density operator of all pairs which are treated as singlet and…

Classical chemical kinetics use rate-equation models to describe how a reaction proceeds in time. Such models are sufficient for describing state transitions in a reaction where coherences between different states do not arise, or in other…

Radical pair recombination reactions are normally described using a quantum mechanical master equation for the electronic and nuclear spin density operator. The electron spin state selective (singlet and triplet) recombination processes are…

The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Radical pairs (also known as spin qubit pairs, electron-hole pairs) are transient reaction intermediates that are found and utilised in all areas of science. Radical pair spin dynamics simulations including all nuclear spins have been a…

The primary goal of this paper is to characterize solutions to coupled reaction-diffusion systems. Indeed, we use operators theory to show that under suitable assumptions, then the solutions to the reaction-diffusion equations exist. As…

Radical-ion pairs and their reactions have triggered the study of quantum effects in biological systems. This is because they exhibit a number of effects best understood within quantum information science, and at the same time are central…

We elaborate on the physical meaning of the non-linear master equation that was recently derived to account for spin-selective radical-ion-pair reactions. Based on quite general arguments, we show that such a non-linear master equation is…

The role of response operators is well established in quantum mechanics. We investigate their use for universal quantum machine learning models of response properties in molecules. After introducing a theoretical basis, we present and…

Radical-ion-pair reactions were recently shown to represent a rich biophysical laboratory for the application of quantum measurement theory methods and concepts, casting doubt on the validity of the theoretical treatment of these reactions…

Reaction systems are a formal model that has been introduced to investigate the interactive behaviors of biochemical reactions. Based on the formal framework of reaction systems, we propose new computing models called reaction automata that…

Radical-ion-pair reactions were recently shown to represent a rich biophysical laboratory for the application of quantum measurement theory methods and concepts. We here show that radical-ion-pair reactions essentially form a non-linear…

Radical pairs and the dynamics they undergo are prevalent in many chemical and biological systems. Specifically, it has been proposed that the radical pair mechanism results from a relatively strong hyperfine interaction with its intrinsic…

Reaction systems are discrete dynamical systems inspired by bio-chemical processes, whose dynamical behaviour is expressed by set-theoretic operations on finite sets. Reaction systems thus provide a description of bio-chemical phenomena…

Model-independent identities and inequalities relating the various spin observables of a reaction are reviewed in a unified formalism, together with their implications for dynamical models, their physical interpretation, and the quantum…

Magnetic field effects on radical pair reactions arise due to the interplay of coherent electron spin dynamics and spin relaxation effects, a rigorous treatment of which requires the solution of the Liouville-von Neumann equation. However,…