191 citations · 1.1k across the 12 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 67 cited
Interaction between water and carbon nanostructures: How good are current density functional approximations?
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè +1
Due to their current and future technological applications, including realisation of water filters and desalination membranes, water adsorption on graphitic sp-bonded carbon…
physics.comp-ph2019★ 45 cited
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: improving reproducibility and reducing the trial-wave-function bias
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides +1
Fixed node diffusion quantum Monte Carlo (FN-DMC) is an increasingly used computational approach for investigating the electronic structure of molecules, solids, and surfaces with…