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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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Analytical Chemistry

Working Paper

Microstructure determines water and salt permeation in commercial ion exchange membranes

Ryan Kingsbury, Shan Zhu, Sophie Flotron, Orlando Coronell

Version 4 posted 15 October 2018

1,525

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Chemical Engineering and Industrial Chemistry

Working Paper

Junction potentials bias measurements of ion exchange membrane permselectivity

Ryan Kingsbury, Sophie Flotron, Shan Zhu, Douglas F. Call, Orlando Coronell

Version 2 posted 26 October 2017

900

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Theoretical and Computational Chemistry

Working Paper

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Amanda Wang, Ryan Kingsbury, Matthew McDermott, Matthew Horton, Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, Kristin Persson

Version 1 posted 19 May 2021

1,895

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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

1,864

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1

Citations

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

1,026

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Catalysis

Working Paper

Co-design of zinc titanium nitride semiconductor towards durable photoelectrochemical applications

Ann L. Greenaway, Sijia Ke, Theodore Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan S. Kingsbury, Rebecca W. Smaha, Elisa M. Miller, Kristin A. Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev

Version 2 posted 25 March 2022

526

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Materials Science

Working Paper

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Ryan Kingsbury, Andrew S. Rosen, Ayush S. Gupta, Jason Munro, Shyue Ping Ong, Anubhav Jain, Shyam Dwaraknath, Matthew K. Horton, Kristin A. Persson

Version 1 posted 04 March 2022

464

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1

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

Kinetic barrier networks reveal rate limitations in ion selective membranes

Ryan Kingsbury, Michael Baird, Junwei Zhang, Hetal Patel, Miranda Baran, Brett Helms, Eric Hoek

Version 4 posted 12 February 2024

1,309

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9 results in Ryan Kingsbury in Authors: Ryan Kingsbury

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

Microstructure determines water and salt permeation in commercial ion exchange membranes

Junction potentials bias measurements of ion exchange membrane permselectivity

A Framework for Quantifying Uncertainty in DFT Energy Corrections

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

A database of molecular properties integrated in the Materials Project

Co-design of zinc titanium nitride semiconductor towards durable photoelectrochemical applications

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Kinetic barrier networks reveal rate limitations in ion selective membranes

9 results in Authors: Ryan Kingsbury