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physics.comp-ph2025
Learning Density Functionals to Bridge Particle and Continuum Scales
Edoardo Monti, Peter Yatsyshin, Konstantinos Gkagkas +1
Predicting interfacial thermodynamics across molecular and continuum scales remains a central challenge in computational science. Classical density functional theory (cDFT) provide…
physics.comp-ph2019
A Finite-Volume Method for Fluctuating Dynamical Density Functional Theory
Antonio Russo, Sergio P. Perez, Miguel A. Durán-Olivencia +3
We introduce a finite-volume numerical scheme for solving stochastic gradient-flow equations. Such equations are of crucial importance within the framework of fluctuating hydrodyna…