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6 results in Authors: Maxwell Venetos

Theoretical and Computational Chemistry

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Alexander R. Epstein, Evan Walter Clark Spotte-Smith, Maxwell C. Venetos, Oxana Andriuc, Kristin A. Persson

Version 1 posted 10 February 2023

334

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1

Citations

Materials Science

Machine learning full NMR chemical shift tensors of silicon oxides with equivariant graph neural networks

Maxwell Venetos, Mingjian Wen, Kristin Persson

Version 1 posted 26 October 2022

408

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Materials Chemistry

CoeffNet: Predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network

Sudarshan Vijay, Maxwell Venetos, Evan Spotte-Smith, Aaron Kaplan, Mingjian Wen, Kristin Persson

Version 1 posted 21 August 2023

393

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Analytical Chemistry

Deconvolution and Analysis of 1H NMR Spectra of Crude Reaction Mixtures

Maxwell Venetos, Masha Elkin, Connor Delaney, John Hartwig, Kristin Persson

Version 1 posted 25 September 2023

1,126

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Theoretical and Computational Chemistry

HEPOM: Using Graph Neural Networks for the accelerated predictions of Hydrolysis Free Energies in different pH conditions.

Rishabh D. Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell Venetos, Ryan Kingsbury, Mingjian Wen, Samuel Blau, Kristin A. Persson

Version 1 posted 28 November 2024

133

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Polymer Science

Pathways to Biorenewable Circularity in Crosslinked Cycloolefin Resins

Zhen Xu, Zi Wang, Maxwell Venetos, Sarah Klass, Pawan Khanal, Christopher Chan, Mutian Hua, Jay Keasling, Kristin Persson, Brett Helms

Version 1 posted 03 July 2024

308

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