FermiNet: Quantum Physics and Chemistry from First Principles

We’ve developed a new neural network architecture, the Fermionic Neural Network or FermiNet, which is well-suited to modeling the quantum state of large collections of electrons, the fundamental building blocks of chemical bonds.

August 22, 2024 Science David Pfau and James Spencer Note: This blog was first published on 19 October 2020. Following the publication of our breakthrough work on excited states in Science on 22 August 2024, we’ve made minor updates and added a section below about this new phase of work. Using deep learning to solve fundamental problems in computational quantum chemistry and explore how matter interacts with light In an article published in Physical Review Research, we showed how deep learning can help solve the fundamental equations of quantum mechanics for real-world systems. Not only…

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