Ab initio quantum chemistry with neural-network wavefunctions

Ab-initio quantum chemistry with neural-network wavefunctions

Frontiers Machine learning meets quantum mechanics in catalysis

PDF] A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Prediction of electronic properties with SchNOrb. a Illustration

Quantum chemical accuracy from density functional approximations

Synergy between deep neural networks and the variational Monte

Autoregressive neural-network wavefunctions for ab initio quantum

PDF] Supplementing Recurrent Neural Network Wave Functions with

PDF] Ab-Initio Solution of the Many-Electron Schrödinger Equation