Classical dynamical density functional theory: from fundamentals to applications
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …
statistical mechanics. It is an extension of the highly successful method of classical density …
Power functional theory for many-body dynamics
M Schmidt - Reviews of Modern Physics, 2022 - APS
The rich and diverse dynamics of particle-based systems ultimately originates from the
coupling of their degrees of freedom via internal interactions. To arrive at a tractable …
coupling of their degrees of freedom via internal interactions. To arrive at a tractable …
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
F Sammüller, S Hermann… - Proceedings of the …, 2023 - National Acad Sciences
We present a hybrid scheme based on classical density functional theory and machine
learning for determining the equilibrium structure and thermodynamics of inhomogeneous …
learning for determining the equilibrium structure and thermodynamics of inhomogeneous …
Fundamental measure theory for hard-sphere mixtures: a review
R Roth - Journal of Physics: Condensed Matter, 2010 - iopscience.iop.org
Hard-sphere systems are one of the fundamental model systems of statistical physics and
represent an important reference system for molecular or colloidal systems with soft …
represent an important reference system for molecular or colloidal systems with soft …
Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory
PA Monson - Microporous and Mesoporous Materials, 2012 - Elsevier
In this tutorial review, we discuss the use of classical density functional theory (DFT) to
understand adsorption/desorption hysteresis phenomena for fluids confined in mesoporous …
understand adsorption/desorption hysteresis phenomena for fluids confined in mesoporous …
Interfacial liquid water on graphite, graphene, and 2D materials
R Garcia - ACS nano, 2022 - ACS Publications
The optical, electronic, and mechanical properties of graphite, few-layer, and two-
dimensional (2D) materials have prompted a considerable number of applications …
dimensional (2D) materials have prompted a considerable number of applications …
Atomically resolved three-dimensional structures of electrolyte aqueous solutions near a solid surface
D Martin-Jimenez, E Chacon, P Tarazona… - Nature …, 2016 - nature.com
Interfacial liquid layers play a central role in a variety of phenomena ranging from friction to
molecular recognition. Liquids near a solid surface form an interfacial layer where the …
molecular recognition. Liquids near a solid surface form an interfacial layer where the …
Stratification dynamics in drying colloidal mixtures
Stratification in binary colloidal mixtures was investigated using implicit-solvent molecular
dynamics simulations. For large particle size ratios and film Péclet numbers greater than …
dynamics simulations. For large particle size ratios and film Péclet numbers greater than …
[HTML][HTML] Physics-informed Bayesian inference of external potentials in classical density-functional theory
A Malpica-Morales, P Yatsyshin… - The Journal of …, 2023 - pubs.aip.org
The swift progression and expansion of machine learning (ML) have not gone unnoticed
within the realm of statistical mechanics. In particular, ML techniques have attracted attention …
within the realm of statistical mechanics. In particular, ML techniques have attracted attention …
The van Hove distribution function for Brownian hard spheres: Dynamical test particle theory and computer simulations for bulk dynamics
We describe a test particle approach based on dynamical density functional theory (DDFT)
for studying the correlated time evolution of the particles that constitute a fluid. Our theory …
for studying the correlated time evolution of the particles that constitute a fluid. Our theory …