Benjamin X Shi

General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.

A. Alavi, A. Michaelides, Andrea Zen, 2022, The Journal of chemical physics.

Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT

J. Yates, R. Nicholls, Benjamin X Shi, 2022, Physical Review B.

To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water

A. Michaelides, Christoph Schran, Niamh O'Neill, 2023, The journal of physical chemistry letters.

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

A. Michaelides, Andrea Zen, V. Kapil, 2023, Journal of the American Chemical Society.