A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini-Kossakowski-Sudarshan-Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner-Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima-Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-02-23
DOI
https://doi.org/10.1063/5.0312309
Primary Topic
Fractional Differential Equations Solutions
Type
article
Field-Weighted Citation Impact
0.00

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article

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Z. Yu, Bo Peng
The Journal of Chemical Physics
Fractional Differential Equations Solutions
article

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Z. Yu, Bo Peng
article en

Abstract

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini-Kossakowski-Sudarshan-Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner-Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima-Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

The Journal of Chemical PhysicsVol. 164(8)
Los Alamos National Laboratory (US), Pacific Northwest National Laboratory (US)
U.S. Department of Energy, Battelle, Office of Science, National Nuclear Security Administration, Basic Energy Sciences, Laboratory Directed Research and Development, Los Alamos National Laboratory, Pacific Northwest National Laboratory
Openalex Percentile: Top 100%
Fractional Differential Equations Solutions
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