Field dossier · from the corpus
Ab initio
0predicted collisions
Where this field is predicted to collide
No open collisions on this field in the current run.
Most cited work
Software update: The ORCA program system—Version 5.0
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice
CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling
Distance-based protein folding powered by deep learning
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Recent work · 2024 onward
High-throughput discovery of surface-functionalized MXenes for photocatalytic water splitting via integrated machine learning and DFT screening
From density functional theory to machine learning: Emerging paradigms in energy materials discovery
Machine learning interatomic potential for the structural properties of iron oxides