QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems

Python Submitted 28 April 2023Published 21 November 2023
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Editor: @jarvist (all papers)
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Authors

Nicolas Renaud (0000-0001-9589-2694)

Citation

Renaud, N., (2023). QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems. Journal of Open Source Software, 8(91), 5472, https://doi.org/10.21105/joss.05472

@article{Renaud2023, doi = {10.21105/joss.05472}, url = {https://doi.org/10.21105/joss.05472}, year = {2023}, publisher = {The Open Journal}, volume = {8}, number = {91}, pages = {5472}, author = {Nicolas Renaud}, title = {QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems}, journal = {Journal of Open Source Software} }
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Deep Learning Quantum Chemistry Monte Carlo Molecular Systems

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ISSN 2475-9066