Compressing local atomic neighbourhood descriptors

Predicting polarizabilities of silicon clusters using local chemical environments

Kernel Charge Equilibration: Efficient and Accurate Prediction of Molecular Dipole Moments with a Machine-Learning Enhanced Electron Density Model

Implications of the BATTERY 2030+ AI-Assisted Toolkit on Future Low-TRL Battery Discoveries and Chemistries

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE.

On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE

Local invertibility and sensitivity of atomic structure-feature mappings

Predicting polarizabilities of silicon clusters using local chemical environments