Richard West

Publications

• https://scholar.google.com/citations?user=6fBhFWIAAAAJ&hl=en
• https://coe.northeastern.edu/people/west-richard/
• https://web.northeastern.edu/comocheng/
• Kinetic Solvent Effects in Organic Reactions
• Automated Transition State Theory Calculations for High-Throughput Kinetics
• Developing a community of practice for implementation of combustion concepts in undergraduate courses.
• Assessing impacts of discrepancies in model parameters on autoignition model performance: A case study using butanol
• Poster 2020: CSSI Framework: Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains
• Data for Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)
• Extensive High-Accuracy Thermochemistry and Group Additivity Values for Halocarbon Combustion Modeling
• The impact of roaming radicals on the combustion properties of transportation fuels
• Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum
• Absolute Pitch Test
• Supplementary Material For Assessing Impacts Of Discrepancies In Model Parameters On Autoignition Model Performance: A Case Study Using Butanol
• The role of correlations in uncertainty quantification of transportation relevant fuel models
• Workshop Report: Sustaining The Combustion Research Community: Ensuring The Field Doesn'T Burn Out
• Analysis and plots for manuscript describing the AutoTST algorithm for automated Transition State Theory calculations of chemical reaction rates.
• Assessing the Impact of Roaming Radical Reactions on Combustion Properties of Transportation Fuels
• Assessing the impact of reaction rate variation on autoignition model performance: butanol
• Combustion Mechanism Importer and Kinetic Models
• Combustion Mechanism Importer and Kinetic Models
• Advances in Automated Transition State Theory Calculations: Improvements on the AutoTST Framework
• Kinetic solvent effects in organic reactions
• A review of evidence-based best practices for developing research software in combustion
• Data, scripts, and figures for Computer-generated kinetics for coupled heterogeneous/homogeneous systems: a case study in catalytic combustion of methane on platinum
• Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
• Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane
• Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)
• Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane
• Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)
• Extensive High-Accuracy Thermochemistry and Group Additivity Values for Halocarbon Combustion Modeling
• Elucidating the role of reactive nitrogen intermediates in hetero-cyclization during hydrothermal liquefaction of food waste
• Transition state geometry prediction using molecular group contributions
• An extensible framework for capturing solvent effects in computer generated kinetic models
• Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
• Developing detailed kinetic models of syngas production from bio-oil gasification using Reaction Mechanism Generator (RMG)
• Effects of CO2 on Carbon Nanotube Formation from Thermal Decomposition of Ethylene
• Estimating transition state geometries for automatic Reaction Mechanism Generation
• Kinetic modeling of syngas production from bio-oil gasification
• Reduction techniques methods for simplifying complex kinetic systems: A general review
• Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
• Analyzing Combustion Models Using a Reaction Mechanism Importer Tool
• Rwest/Rmg-Database: Database For Rmg-Cat Version 1.0
• RMG-Cat version 1.0 examples for automated reaction mechanism generation of heterogeneous catalysis
• Rwest/Rmg-Py: Rmg-Cat Version 1.0
• Kinetic data for manuscript describing the AutoTST algorithm for automated Transition State Theory calculations of chemical reaction rates
• Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis
• Computer generated microkinetics: a case study for methane dry reforming
• Encouraging Modern Software Development Practices for Combustion
• Assessing the impact of reaction rate variation on autoignition model performance: butanol
• Slide 2020: CSSI Framework: Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains
• Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
• Extensive High-Accuracy Thermochemistry and Group Additivity Values for Halocarbon Combustion Modeling
• A statistical approach to develop a detailed soot growth model using PAH characteristics
• ChemInform Abstract: Predicting Solvation Energies for Kinetic Modeling
• First-Principles Thermochemistry for Silicon Species in the Decomposition of Tetraethoxysilane
• Predicting solvation energies for kinetic modeling
• Letter to the editor: Electronic data formats for open storage of published chemical kinetic data
• A detailed kinetic model for combustion synthesis of titania from TiCl4
• A Detailed Model for the Sintering of Polydispersed Nanoparticle Agglomerates
• Aromatic site description of soot particles
• Modelling gas-phase synthesis of single-walled carbon nanotubes on iron catalyst particles
• First-Principles Thermochemistry for the Combustion of a TiCl4 and AlCl3 Mixture
• Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation-rate
• First-principles thermochemistry for the production of TiO2 from TiCl4
• Toward a comprehensive model of the synthesis of TiO2 particles from TiCl4
• Modelling the combustion synthesis of Titania nanoparticles
• Multiphysics model of diesel injector deposit formation
• Progress towards capturing solvent effects in automatic mechanism generation
• Automatic reaction mechanism generation with group additive kinetics
• Building kinetic models for the liquid phase: Hydrocarbon autoxidation
• 21st century kinetics: Quantitative predictions from first princples
• Modeling gas-phase carbon nanotube synthesis on iron particles from carbon monoxide
• Cantera: an open source software tool for integrating complex thermochemistry into energy technology simulations
• Cantera: an open source software tool for integrating complex thermochemistry into energy technology simulations
• Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains
• Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains
• Automating the generation of detailed kinetic models for halocarbon combustion with the Reaction Mechanism Generator
• Automatic mechanism generation involving kinetics of surface reactions with bidentate adsorbates
• Implementing the Blowers-Masel Approximation to Scale Activation Energy Based on Reaction Enthalpy in Mean-field Micro-kinetic Modeling for Catalytic Methane Partial Oxidation
• Accelerating Electrocatalyst Innovation: High-Throughput Automated Microkinetic Modeling
• Implementing the Blowers–Masel Approximation to Scale Activation Energy Based on Reaction Enthalpy in Mean-Field Microkinetic Modeling for Catalytic Methane Partial Oxidation
• Uncertainty Quantification of Linear Scaling, Machine Learning, and DFT Derived Thermodynamics for the Catalytic Partial Oxidation of Methane on Rhodium
• RMG Database for Chemical Property Prediction
• Automatic Generation of Chemical Mechanisms for Electrochemical Systems: Solid Electrolyte Interphase Formation in Lithium Batteries
• Quantifying the effect of difluoromethane on ignition delay times of propane
• Supporting Information for Accelerating Combustion Mechanism Discovery with Automated Uncertainty, Sensitivity, Thermodynamics, and Kinetics Calculations
• Supporting Information for Accelerating Combustion Mechanism Discovery with Automated Uncertainty, Sensitivity, Thermodynamics, and Kinetics Calculations
• Uncertainty Quantification of Linear Scaling, Machine Learning, and Density Functional Theory Derived Thermodynamics for the Catalytic Partial Oxidation of Methane on Rhodium