Condensed Matter - Materials Science

Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water

Is Fixed-Node Diffusion Quantum Monte Carlo Reproducible?

An Accurate and Efficient Framework for Modelling the Surface Chemistry of Ionic Materials

Nuclear Quantum Effects Induce Superionic Proton Transport in Nanoconfined Water

A Foundation Model for Atomistic Materials Chemistry

Direct Imaging of Charge Redistribution Due to Bonding at Atomic Resolution via Electron Ptychography