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 <scp>ORCA</scp> program system—Version 5.0
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
The GW approximation: content, successes and limitations
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