Search Results for author: W. M. C. Foulkes

Found 6 papers, 4 papers with code

Ab-initio quantum chemistry with neural-network wavefunctions

no code implementations26 Aug 2022 Jan Hermann, James Spencer, Kenny Choo, Antonio Mezzacapo, W. M. C. Foulkes, David Pfau, Giuseppe Carleo, Frank Noé

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 play an increasingly important role in scientific discovery.


Discovering Quantum Phase Transitions with Fermionic Neural Networks

1 code implementation10 Feb 2022 G. Cassella, H. Sutterud, S. Azadi, N. D. Drummond, D. Pfau, J. S. Spencer, W. M. C. Foulkes

Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states.

Variational Monte Carlo

Better, Faster Fermionic Neural Networks

2 code implementations13 Nov 2020 James S. Spencer, David Pfau, Aleksandar Botev, W. M. C. Foulkes

The Fermionic Neural Network (FermiNet) is a recently-developed neural network architecture that can be used as a wavefunction Ansatz for many-electron systems, and has already demonstrated high accuracy on small systems.

Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks

1 code implementation5 Sep 2019 David Pfau, James S. Spencer, Alexander G. de G. Matthews, W. M. C. Foulkes

Here we introduce a novel deep learning architecture, the Fermionic Neural Network, as a powerful wavefunction Ansatz for many-electron systems.

The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up

1 code implementation28 Nov 2018 James S. Spencer, Nick S. Blunt, Seonghoon Choi, Jiri Etrych, Maria-Andreea Filip, W. M. C. Foulkes, Ruth S. T. Franklin, Will J. Handley, Fionn D. Malone, Verena A. Neufeld, Roberto Di Remigio, Thomas W. Rogers, Charles J. C. Scott, James J. Shepherd, William A. Vigor, Joseph Weston, RuQing Xu, Alex J. W. Thom

Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade.

Computational Physics

Cannot find the paper you are looking for? You can Submit a new open access paper.