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physics.chem-ph2021★ 6 cited
Learning intermolecular forces at liquid-vapor interfaces
Samuel P. Niblett, Mirza Galib, David T. Limmer
By adopting a perspective informed by contemporary liquid state theory, we consider how to train an artificial neural network potential to describe inhomogeneous, disordered system…
physics.chem-ph2020
Elucidating the mechanism of reactive uptake of NO in aqueous aerosol
Mirza Galib, David T Limmer
Nearly one third of all nitrogen oxides are removed from the atmosphere through the reactive uptake of NO into aqueous aerosol. The primary step in reactive uptake is the r…