492 citations · 2k across the 17 of their papers we have counts for
3 papers · 1 filter
A Self-Attention Ansatz for Ab-initio Quantum Chemistry
Ingrid von Glehn, James S. Spencer, David Pfau
We present a novel neural network architecture using self-attention, the Wavefunction Transformer (Psiformer), which can be used as an approximation (or Ansatz) for solving the man…
Ab-initio quantum chemistry with neural-network wavefunctions
Jan Hermann, James Spencer, Kenny Choo +5
Machine learning and specifically deep-learning methods have outperformed human capabilities in many pattern recognition and data processing problems, in game playing, and now also…
Discovering Quantum Phase Transitions with Fermionic Neural Networks
G. Cassella, H. Sutterud, S. Azadi +4
Deep neural networks have been extremely successful as highly accurate wave function ansätze for variational Monte Carlo calculations of molecular ground states. We present an exte…