Ab initio quantum chemistry with neural-network wavefunctions

PDF] Supplementing Recurrent Neural Network Wave Functions with

2211.13672] A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Computational Quantum Science Lab (@cqs_lab) / X

Using perturbatively selected configuration interaction in quantum Monte Carlo calculations

Ab-initio quantum chemistry with neural-network wavefunctions

The world's largest quantum chemistry dataset to empower new

Autoregressive neural-network wavefunctions for ab initio quantum

A. I. Lvovsky - CatalyzeX

Mathematics, Free Full-Text

Prediction of electronic properties with SchNOrb. a Illustration

quantum machine learning Archives InstaDeep - Decision-Making AI

Deep Learning for Quantum Chemical Calculations