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Peter C. St. John

2 results in Authors: Peter C. St. John

Theoretical and Computational Chemistry

Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks

Yeonjoon Kim, Jaeyoung Cho, Hojin Jung, Lydia E. Meyer, Gina M. Fioroni, Christopher D. Stubbs, Keunhong Jeong, Robert L. McCormick, Peter C. St. John, Seonah Kim

Version 2 posted 01 August 2024

383

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Materials Chemistry

Upper-Bound Energy Minimization to Search for Stable Functional Materials with Graph Neural Networks

Jeffrey N. Law, Shubham Pandey, Prashun Gorai, Peter C. St. John

Version 2 posted 26 September 2022

704

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