Abstract & Overview
Classical force fields (FFs) based on machine learning (ML) methods show great potential for large scale simulations of solids.
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Unified graph neural network force-field for the periodic table: solid state applications
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Kamal Kumar Choudhary, Brian DeCost, Lily Major, Keith T. Butler, Jeyan Thiyagalingam, Francesca Tavazza (2023). Unified graph neural network force-field for the periodic table: solid state applications. Digital Discovery, 2(2), 346–355. https://doi.org/10.1039/d2dd00096bCopy in another style
Choudhary, K. K., DeCost, B., Major, L., Butler, K. T., Thiyagalingam, J., & Tavazza, F. (2023). Unified graph neural network force-field for the periodic table: solid state applications. Digital Discovery, 2(2), 346–355. https://doi.org/10.1039/d2dd00096b
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