23 citations · 74 across the 8 of their papers we have counts for
9 papers
A unified machine-learning framework for ab initio multiscale modeling of liquids
Anna T. Bui, Stephen J. Cox
Understanding and predicting the behavior of liquid matter across length scales, using only the microscopic interactions encoded in the Schrödinger equation, remains a central chal…
The roles of bulk and surface thermodynamics in the selective adsorption of a confined azeotropic mixture
Katie L. Y. Zhou, Anna T. Bui, Stephen J. Cox
Fluid mixtures that exhibit an azeotrope cannot be purified by simple bulk distillation. Consequently, there is strong motivation to understand the behavior of azeotropic mixtures…
Self-assembled clusters of mutually repelling particles in confinement
P. D. S. de Lima, R. De La Cour, K. Gaff +4
Mutually repelling particles form spontaneously ordered clusters when forced into confinement. The clusters may adopt similar spatial arrangements even if the underlying particle i…
Nanoconfined superionic water is a molecular superionic
Samuel W. Coles, Amir Hajibabaei, Venkat Kapil +4
Superionic ice, where water molecules dissociate into a lattice of oxygen ions and a rapidly diffusing 'gas' of protons, represents an exotic state of matter with broad implication…
A first principles approach to electromechanics in liquids
Anna T. Bui, Stephen J. Cox
Electromechanics in fluids describes the response of the number density to electric fields, and thus provides a powerful means by which to control the behavior of liquids. While co…
Dielectrocapillarity for exquisite control of fluids
Anna T. Bui, Stephen J. Cox
Spatially varying electric fields are prevalent throughout nature, such as in nanoporous materials and biological membranes, and technology, e.g, patterned electrodes and van der W…
Momentum tunnelling between nanoscale liquid flows
Baptiste Coquinot, Anna T. Bui, Damien Toquer +4
The world of nanoscales in fluidics is the frontier where the continuum of fluid mechanics meets the atomic, and even quantum, nature of matter. While water dynamics remains largel…
Learning classical density functionals for ionic fluids
Anna T. Bui, Stephen J. Cox
Accurate and efficient theoretical techniques for describing ionic fluids are highly desirable for many applications across the physical, biological and materials sciences. With a…
Revisiting the Green-Kubo relation for friction in nanofluidics
Anna T. Bui, Stephen J. Cox
A central aim of statistical mechanics is to establish connections between a system's microscopic fluctuations and its macroscopic response to a perturbation. For non-equilibrium t…