Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals.

Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions.

Systematic discrepancies between reference methods for noncovalent interactions within the S66 dataset

Cooperative CO2 capture via oxalate formation on metal-decorated graphene

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies

An accurate and efficient framework for modelling the surface chemistry of ionic materials

It's Not a SKZCAM! Accurate Surface Chemistry at Low Cost

Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters

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

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