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Catalysis

Working Paper

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

Matthew S. Johnson, David H. Bross, Judit Zador

Version 2 posted 27 January 2025

164

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Earth, Space, and Environmental Chemistry

Working Paper

Hyperlocal Air Pollution in London Part 1: Validating Low-Cost Sensors for Mobile Measurements from Vehicles

Hugo S. Russell, Louise B. Frederickson, Martin O. B. Sørensen, Johan A. Schmidt, Ole Hertel, Matthew S. Johnson

Version 1 posted 05 March 2024

183

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Catalysis

Working Paper

An Automated Pynta-based Curriculum for ML-Accelerated Calculation of Transition States

Trevor Price, Saurabh Sivakumar, Matthew S. Johnson, Judit Zádor, Ambarish Kulkarni

Version 1 posted 25 November 2024

198

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Theoretical and Computational Chemistry

Working Paper

Diffusion Limited Kinetics In Reactive Systems

Matthew S. Johnson, Joy N. Mueller, Craig Daniels, Habib N. Najm, Judit Zador

Version 2 posted 02 February 2024

441

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Physical Chemistry

Working Paper

Photocatalytic chloride to chlorine conversion by ionic iron in aqueous aerosols: A combined experimental, quantum chemical and chemical equilibrium model study

Marie Kathrine Mikkelsen, Jesper Baldtzer Liisberg, Maarten M. J. W. van Herpen, Kurt V. Mikkelsen, Matthew S. Johnson

Version 1 posted 11 October 2023

234

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Theoretical and Computational Chemistry

Working Paper

A Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

Hao-Wei Pang, Xiaorui Dong, Matthew S. Johnson, William H. Green

Version 1 posted 31 January 2024

217

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Theoretical and Computational Chemistry

Working Paper

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Matthew S. Johnson, Hao-Wei Pang, Anna C. Doner, William H. Green, Judit Zador

Version 1 posted 27 September 2024

197

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Physical Chemistry

Working Paper

Catalytic efficiencies for atmospheric methane removal in the high-chlorine regime

Luisa Pennacchio, Maarten van Herpen, Daphne Meidan, Alfonso Saiz-Lopez, Matthew S. Johnson

Version 2 posted 11 December 2024

407

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Physical Chemistry

Working Paper

Species Selection for Automatic Chemical Kinetic Mechanism Generation

Matthew S. Johnson, Hao-Wei Pang, Mengjie Liu, William H. Green

Version 2 posted 30 January 2024

437

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2

Citations

Physical Chemistry

Working Paper

ReactionMechanismSimulator.jl: A Modern Approach to Chemical Kinetic Mechanism Simulation and Analysis

Matthew S. Johnson, Hao-Wei Pang, A. Mark Payne, William H. Green

Version 2 posted 12 January 2024

1,230

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1

Citations

Refine Search

19 results in Matthew S. Johnson in Authors: Matthew S. Johnson

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

Hyperlocal Air Pollution in London Part 1: Validating Low-Cost Sensors for Mobile Measurements from Vehicles

An Automated Pynta-based Curriculum for ML-Accelerated Calculation of Transition States

Diffusion Limited Kinetics In Reactive Systems

Photocatalytic chloride to chlorine conversion by ionic iron in aqueous aerosols: A combined experimental, quantum chemical and chemical equilibrium model study

A Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Catalytic efficiencies for atmospheric methane removal in the high-chlorine regime

Species Selection for Automatic Chemical Kinetic Mechanism Generation

ReactionMechanismSimulator.jl: A Modern Approach to Chemical Kinetic Mechanism Simulation and Analysis

19 results in Authors: Matthew S. Johnson