In my research, I use computer simulations and theoretical approaches to understand solvation and nanoscale water flow.

Please see my site for more.

 

 

 

Publications

A unified machine-learning framework for ab initio multiscale modeling of liquids.
AT Bui, SJ Cox
Proc Natl Acad Sci U S A
(2026)
123
Roles of Bulk and Surface Thermodynamics in the Selective Adsorption of a Confined Azeotropic Mixture.
KLY Zhou, AT Bui, SJ Cox
The journal of physical chemistry. B
(2026)
130
Elucidating interfacial phenomena in complex liquids with theory, molecular simulation and machine learning
A Bui
(2026)
A unified machine-learning framework for ab initio multiscale modeling of liquids
AT Bui, SJ Cox
(2026)
Dielectrocapillarity for exquisite control of fluids
AT Bui, SJ Cox
Nature Communications
(2026)
17
The roles of bulk and surface thermodynamics in the selective adsorption of a confined azeotropic mixture
KLY Zhou, AT Bui, SJ Cox
(2026)
Dielectrocapillarity for exquisite control of fluids
AT Bui, SJ Cox
(2025)
A first-principles approach to electromechanics in liquids.
AT Bui, SJ Cox
Journal of Physics Condensed Matter
(2025)
37
Learning Classical Density Functionals for Ionic Fluids.
AT Bui, SJ Cox
Physical Review Letters
(2025)
134
A first principles approach to electromechanics in liquids
AT Bui, SJ Cox
(2025)

Postgraduate student

Telephone number

01223 336423 (shared)

College