Learning Neural Free-Energy Functionals with Pair-Correlation Matching.
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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