Introduction to modeling radical pair quantum spin dynamics with tensor networks

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Authors: Kentaro Hino, Damyan Frantzov, Yuki Kurashige, Lewis M. Antill
Cited by: 2
References: 60

Abstract

Radical pairs are short-lived, spin-correlated intermediates that underpin processes in chemistry, biology, and emerging quantum technologies. Their behavior is governed by coupled electron-nuclear spin dynamics and is sensitive to weak magnetic fields, but full quantum treatments have been obstructed by the extreme computational cost of modeling many interacting spins. Here, this barrier is removed, demonstrating that open-system radical-pair dynamics can be resolved at nuclear-spin scales previously intractable, explicitly reaching regimes with tens of coupled nuclei and validated up to 60 spins. In biologically relevant flavin-tryptophan radical pairs, electron-transfer pathways and magnetic-field anisotropy are found to reshape spin evolution and, in turn, spin-selective reaction yields. The resulting directional responses expose a strong mechanistic link between the nuclear environment, magnetic geometry, and chemical outcome-a relationship central to hypotheses of avian magnetoreception and other magnetic-field effects in biology. This establishes a widely applicable simulation framework that removes a long-standing barrier in spin chemistry, quantum biology, and spin-based device science.

Fields of Study & Subjects

Magnetism in coordination complexes Electron Spin Resonance Studies Metal-Catalyzed Oxygenation Mechanisms

Publication details

Journal / source
The Journal of Chemical Physics
Publisher
AIP Publishing
Volume
164
Issue
8
Publication date
23 February 2026
Language
EN