Ab initio quantum chemistry with neural-network wavefunctions

Ab initio quantum chemistry with neural-network wavefunctions

Towards a transferable fermionic neural wavefunction for molecules

David Pfau: Do people post preprint threads on Bluesky? I guess they do now! Thrilled to share what I've been working on for the last two years - a new way to

Quantum Chemistry Breakthrough: DeepMind Uses Neural Networks to

Calculated results of neural network Our results are all labeled

Review: Ab initio quantum chemistry with neural-network wavefunctions – 如我所见

Ab-initio quantum chemistry with neural-network wavefunctions

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Ab-initio Potential Energy Surfaces by Pairing GNNs with Neural

Autoregressive neural-network wavefunctions for ab initio quantum