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Polymer Science

Working Paper

Uncoupling Short-Range Bond Exchange From Long-Range Viscoelastic Flow in Circular Polydiketoenamine Elastomers

Eric Dailing, Pawan Khanal, Alexander Epstein, Jeremy Demarteau, Kristin Persson, Brett Helms

Version 1 posted 25 May 2023

263

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Theoretical and Computational Chemistry

Working Paper

A database of molecular properties integrated in the Materials Project

Evan Walter Clark Spotte-Smith, Orion Archer Cohen, Samuel Blau, Jason Munro, Ruoxi Yang, Rishabh Guha, Hetal Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury, Matthew Horton, Kristin Persson

Version 3 posted 04 October 2023

972

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Theoretical and Computational Chemistry

Working Paper

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L.D. Rinkel, Bryan D. McCloskey, Kristin A. Persson

Version 2 posted 20 December 2023

363

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Materials Chemistry

Working Paper

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

386

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Polymer Science

Working Paper

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

278

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Physical Chemistry

Working Paper

Phosphonium-Based Binary and Ternary Super-Concentrated Liquid Electrolytes for Magnesium Batteries

miles arthur white, Emily V. Carino, Julian Self, Kristin Persson, Brett Helms

Version 1 posted 23 September 2019

903

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1

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Polymer Science

Working Paper

Conformational Entropy as a Means to Control the Behavior of Poly(diketonenamine) Vitrimers In and Out of Equilibrium

Changfei He, Peter Christensen, Trevor Seguin, Brandon Wood, Kristin Persson, Thomas Russell, Brett Helms

Version 1 posted 10 June 2019

772

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Theoretical and Computational Chemistry

Working Paper

Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases

Evan Spotte-Smith, Thea Petrocelli, Hetal Patel, Samuel Blau, Kristin Persson

Version 3 posted 21 November 2022

1,166

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Materials Chemistry

Working Paper

Performance comparison of r2SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow

Ryan Kingsbury, Ayush Gupta, Christopher Bartel, Jason Munro, Shyam Dwaraknath, Matthew Horton, Kristin Persson

Version 2 posted 14 September 2021

1,813

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1

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Materials Chemistry

Working Paper

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

Xiaowei Xie, Noel Leon, David Small, Evan Clark Spotte-Smith, Chen Liao, Kristin Persson

Version 1 posted 30 August 2022

233

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43 results in Kristin Persson in Authors: Kristin Persson

Uncoupling Short-Range Bond Exchange From Long-Range Viscoelastic Flow in Circular Polydiketoenamine Elastomers

A database of molecular properties integrated in the Materials Project

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

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

Pathways to Biorenewable Circularity in Crosslinked Cycloolefin Resins

Phosphonium-Based Binary and Ternary Super-Concentrated Liquid Electrolytes for Magnesium Batteries

Conformational Entropy as a Means to Control the Behavior of Poly(diketonenamine) Vitrimers In and Out of Equilibrium

Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases

Performance comparison of r2SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

43 results in Authors: Kristin Persson