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October 18, 2025Physical review. EOpen Access

Learned free-energy functionals from pair-correlation matching for dynamical density functional theory

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The learned free-energy functional enhances DDFT modeling of nonequilibrium dynamics and improves predictions.
In simulations, the functional matches dynamical densities with those from Brownian dynamics up to the adiabatic limit.
The study applies an extension based on gradient flows, yielding good agreement in gas adsorption modeling.
Results indicate a promising approach for efficient simulation of many-body nonequilibrium systems.

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Implication

This article demonstrates learned free-energy functionals improve predictions in nonequilibrium density functional theory, suggesting efficiency gains.

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Ram et al. (2025) studied this question.

synapsesocial.com/papers/68f35bfc73f0a7d050f47d9d https://doi.org/10.1103/22fd-ykkb

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Implication

This article demonstrates learned free-energy functionals improve predictions in nonequilibrium density functional theory, suggesting efficiency gains.

Learned free-energy functionals from pair-correlation matching for dynamical density functional theory

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Discussion

Implication

Cite This Study

Learned free-energy functionals from pair-correlation matching for dynamical density functional theory

Key Points

Discussion

Implication

Cite This Study

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