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Evan Walter Clark Spotte-Smith

Showing results (1-10 of 14) with videos related to

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Journal of Computational Chemistry|July 12, 2020
Aqueous Diels-Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theoryEvan Walter Clark Spotte-Smith, Peiyuan Yu, Samuel M Blau, et al.
Chemical Science|June 24, 2021
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged moleculesMingjian Wen, Samuel M Blau, Evan Walter Clark Spotte-Smith, et al.
Journal of Chemical Theory and Computation|May 17, 2023
Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction KineticsAlexander Rizzolo Epstein, Evan Walter Clark Spotte-Smith, Maxwell C Venetos, et al.
Chemical Science|June 24, 2021
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formationSamuel M Blau, Hetal D Patel, Evan Walter Clark Spotte-Smith, et al.
Nature Computational Science|January 4, 2024
Chemical reaction networks and opportunities for machine learningMingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, et al.
Journal of the American Chemical Society|August 11, 2021
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction NetworkXiaowei Xie, Evan Walter Clark Spotte-Smith, Mingjian Wen, et al.
Chemical Science|February 26, 2024
<i>CoeffNet</i>: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural networkSudarshan Vijay, Maxwell C Venetos, Evan Walter Clark Spotte-Smith, et al.
The Journal of Physical Chemistry Letters|January 4, 2024
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion BatteriesEvan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, et al.
Scientific Data|August 6, 2021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase speciesEvan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie, et al.
Nature Computational Science|December 8, 2025
Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphsEric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|July 12, 2020
Aqueous Diels-Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theoryEvan Walter Clark Spotte-Smith, Peiyuan Yu, Samuel M Blau, et al.
Chemical Science|June 24, 2021
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged moleculesMingjian Wen, Samuel M Blau, Evan Walter Clark Spotte-Smith, et al.
Journal of Chemical Theory and Computation|May 17, 2023
Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction KineticsAlexander Rizzolo Epstein, Evan Walter Clark Spotte-Smith, Maxwell C Venetos, et al.
Chemical Science|June 24, 2021
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formationSamuel M Blau, Hetal D Patel, Evan Walter Clark Spotte-Smith, et al.
Nature Computational Science|January 4, 2024
Chemical reaction networks and opportunities for machine learningMingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, et al.
Journal of the American Chemical Society|August 11, 2021
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction NetworkXiaowei Xie, Evan Walter Clark Spotte-Smith, Mingjian Wen, et al.
Chemical Science|February 26, 2024
<i>CoeffNet</i>: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural networkSudarshan Vijay, Maxwell C Venetos, Evan Walter Clark Spotte-Smith, et al.
The Journal of Physical Chemistry Letters|January 4, 2024
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion BatteriesEvan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, et al.
Scientific Data|August 6, 2021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase speciesEvan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie, et al.
Nature Computational Science|December 8, 2025
Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphsEric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, et al.
Pageof 2