Reactive Many-Body Expansion for a Protonated Water Cluster

First-principles energetics of water clusters and ice: A many-body analysis

Free energy surface reconstruction from umbrella samples using Gaussian process regression II: Multiple collective variables

Tests of an Adaptive QM/MM Calculation on Free Energy Profiles of Chemical Reactions in Solution

Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water

Communication: Energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water

On representing chemical environments (vol 87, 184115, 2013)

On representing chemical environments

On representing chemical environments

First-principles energetics of water: a many-body analysis