A unified theory of free energy functionals and applications to diffusion
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2203399119
Abstract: Significance The free energy functional is a central component of continuum dynamical models used to describe phase transitions, microstructural evolution, and pattern formation. However, despite the success of these models in many areas of physics,… read more here.
Keywords: energy functionals; physics; energy; free energy ... See more keywords
Learning Neural Free-Energy Functionals with Pair-Correlation Matching.
Sign Up to like & getrecommendations! Published in 2024 at "Physical review letters"
DOI: 10.1103/physrevlett.134.056103
Abstract: The intrinsic Helmholtz free-energy functional, the centerpiece of classical density functional theory, is at best only known approximately for 3D systems. Here we introduce a method for learning a neural-network approximation of this functional by… read more here.
Keywords: learning neural; neural free; energy; free energy ... See more keywords