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The Chemical Master Equation (CME) provides a highly accurate, yet extremely resource-intensive representation of a stochastic chemical reaction network and its kinetics due to the exponential scaling of its possible states with the number…

Quantum Physics · Physics 2024-04-16 Tilas Kabengele , Yash M. Lokare , J. B. Marston , Brenda M. Rubenstein

Dissipaton theory had been proposed as an exact and nonperturbative approach to deal with open quantum system dynamics, where the influence of Gaussian environment is characterized by statistical quasi-particles named as dissipatons. In…

Quantum Physics · Physics 2024-11-13 Xiang Li , Yu Su , Zi-Hao Chen , Yao Wang , Rui-Xue Xu , Xiao Zheng , YiJing Yan

To investigate the effect of quantum coherence on electronic energy transfer, which is the subject of current interest in photosynthesis, we solve the problem of transport for the simplest model of an aggregate of monomers interacting…

Quantum Physics · Physics 2015-03-19 J. S. Briggs , A. Eisfeld

Generalized quantum master equations (GQMEs) are an important tool in modeling chemical and physical processes. For a large number of problems it has been shown that exact and approximate quantum dynamics methods can be made dramatically…

Chemical Physics · Physics 2016-05-25 Aaron Kelly , Andrés Montoya-Castillo , Lu Wang , Thomas E. Markland

The conditions under which an open quantum mechanical system may be described by mixed quantum-classical dynamics are investigated. Decoherence is studied using influence functional methods in a model composite quantum system comprising two…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Kazutomu Shiokawa , Raymond Kapral

A geometry-based mechanism for generating steady-state internal circulation of local thermal currents is demonstrated by harmonically coupled quantum oscillators formulated by the Redfield quantum master equation (RQME) and the Bose Hubbard…

Mesoscale and Nanoscale Physics · Physics 2022-06-14 Palak Dugar , Chih-Chun Chien

We present an efficient theoretical method for calculating the time evolution of the density matrix of a multilevel quantum system weakly interacting with incoherent light. The method combines the Bloch-Redfield theory with a partial…

Chemical Physics · Physics 2015-06-23 Timur V. Tscherbul , Paul Brumer

A model is proposed for studying the reaction dynamics in complex quantum systems in which the complete mixing of states is hindered by an internal barrier. Such systems are often treated by the transition-state theory, also known in…

Quantum Physics · Physics 2021-11-03 G. F. Bertsch , K. Hagino

We investigate a simple model exhibiting a prethermal phase, i.e. a metastable state that emerges before full thermalization, through the framework of quantum stochastic thermodynamics. We explore the effects of quantum coherence in the…

Quantum Physics · Physics 2026-05-06 Simone Artini , Mauro Paternostro , Salvatore Lorenzo

Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum…

Materials Science · Physics 2024-04-09 Renai Chen , Mohammadhasan Dinpajooh , Abraham Nitzan

The chemical master equation (CME), which describes the discrete and stochastic molecule number dynamics associated with biological processes like transcription, is difficult to solve analytically. It is particularly hard to solve for…

Subcellular Processes · Quantitative Biology 2021-03-23 John J. Vastola , Gennady Gorin , Lior Pachter , William R. Holmes

We construct a quantum Markovian Master equation for a driven system coupled to a thermal bath. The derivation utilizes an explicit solution of the propagator of the driven system. This enables the validity of the Master equation to be…

Quantum Physics · Physics 2021-03-11 Roie Dann , Amikam Levy , Ronnie Kosloff

The thermodynamic uncertainty relation, originally derived for classical Markov-jump processes, provides a trade-off relation between precision and dissipation, deepening our understanding of the performance of quantum thermal machines.…

Statistical Mechanics · Physics 2021-03-31 Junjie Liu , Dvira Segal

Given a multilevel system coupled to a bath, we use a Feshbach P,Q partitioning technique to derive an exact trace-nonpreserving master equation for a subspace $\mathcal{S}_{i}$ of the system. The resultant equation properly treats the…

Quantum Physics · Physics 2009-11-13 Lian-Ao Wu , Gershon Kurizki , Paul Brumer

The chemical diffusion master equation (CDME) describes the probabilistic dynamics of reaction--diffusion systems at the molecular level [del Razo et al., Lett. Math. Phys. 112:49, 2022]; it can be considered the master equation for…

Statistical Mechanics · Physics 2023-01-23 Mauricio J. del Razo , Stefanie Winkelmann , Rupert Klein , Felix Höfling

Conventional continuous quantum heat engines with incoherent heat transfer perform poorly as they exploit two-body interactions between the system and hot or cold baths, thus having limited capability to outperform their classical…

In this paper we study a model of randomly colliding particles interacting with a thermal bath. Collisions between particles are modeled via the Kac master equation while the thermostat is seen as an infinite gas at thermal equilibrium at…

Mathematical Physics · Physics 2014-07-21 Federico Bonetto , Michael Loss , Ranjini Vaidyanathan

In this article we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean…

Chemical Physics · Physics 2015-06-23 Aaron Kelly , Nora Brackbill , Thomas E. Markland

In this article, we derive the stochastic master equations corresponding to the statistical model of a heat bath. These stochastic differential equations are obtained as continuous time limits of discrete models of quantum repeated…

Quantum Physics · Physics 2010-06-17 Ion Nechita , Clément Pellegrini

We consider a fermionic quantum system exchanging particles with an environment at a fixed temperature and study its reduced evolution by means of a Redfield-I equation with time-dependent (non-Markovian) coefficients. We find that the…

Mesoscale and Nanoscale Physics · Physics 2025-02-04 Lukas Litzba , Eric Kleinherbers , Jürgen König , Ralf Schützhold , Nikodem Szpak
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