Field dossier · from the corpus
Ab initio quantum chemistry methods
0predicted collisions
Where this field is predicted to collide
No open collisions on this field in the current run.
Most cited work
Electron-phonon interactions from first principles
Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice
Learning from data to design functional materials without inversion symmetry
Ab initio phasing macromolecular structures using electron-counted MicroED data
High-throughput discovery of surface-functionalized MXenes for photocatalytic water splitting via integrated machine learning and DFT screening
Machine learning interatomic potential for the structural properties of iron oxides