Steepest Entropy Ascent Quantum Thermodynamics

Steepest Entropy Ascent Quantum Thermodynamics (SEAQT) is a theoretical framework that unifies quantum mechanics and thermodynamics to describe the intrinsic non-equilibrium evolution of isolated systems. Central to SEAQT is an equation of motion that advances a system along the path of steepest entropy increase in its state space, defined by its energy eigenstructure. Unlike phenomenological approaches, SEAQT requires no assumption of near-equilibrium conditions or external baths, treating entropy generation as an inherent driving force. This allows detailed prediction of kinetic pathways and dissipative processes from first principles, enabling the study of complex phenomena such as chemical adsorption, ion sequestration and reactive dynamics at atomistic scales. The framework offers global significance in fields ranging from materials design to environmental remediation, by providing a predictive tool for far-from-equilibrium behaviour and guiding the development of efficient processes.

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Steepest Entropy Ascent Quantum Thermodynamics publication trend

The graph below shows the total number of articles in steepest entropy ascent quantum thermodynamics across all publications each year (not limited to Nature Index journals).

Technical terms

Steepest entropy ascent: The principle that an isolated system evolves along the trajectory in state space that maximises the instantaneous rate of entropy production.

Quantum thermodynamics: A discipline integrating quantum mechanics with the laws of thermodynamics to describe energy exchange and irreversibility at the quantum scale.

Energy eigenstructure: The set of discrete energy levels and corresponding degeneracies that characterise a quantum system’s possible states.

Non-equilibrium state: A thermodynamic state in which macroscopic observables change in time and detailed balance is not satisfied.

Equation of motion (thermodynamic): A mathematical relation governing the temporal evolution of state probabilities in SEAQT, driven by entropy gradients rather than external reservoirs.

References

1. Predicting Ion Sequestration in Charged Polymers with the Steepest-Entropy-Ascent Quantum Thermodynamic Framework. Nanomaterials (2024).
2. CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films. Materials (2019).
3. Modeling the Non-Equilibrium Process of the Chemical Adsorption of Ammonia on GaN(0001) Reconstructed Surfaces Based on Steepest-Entropy-Ascent Quantum Thermodynamics. Materials (2017).
4. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics. Journal of Physics Conference Series (2014).