Green, W.

Authored

(731c) Towards Fully Automated Generation of Predictive Detailed Kinetic Models: 2,3-Dimethylbut-2-Ene Oxidation Modeling As an Example
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(342f) Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509dg) Computer-Aided Prediction of Enzymatic Reactions
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(364j) Generating 3D Conformer Ensembles of Molecular Graphs with End-to-End Differentiable Networks
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(616e) Transitory Sensitivities and Automated Analysis of Large Chemical Mechanisms
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(9a) Retrosynthesis Based on Chemical Similarity: Applications in Enzymatic Synthesis
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(463e) An in silico Tool for Quantitative Kinetic Predictions of API Degradation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509ct) An Automated Workflow to Rapidly and Accurately Generate Transition State Structures Using Machine Learning
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(731b) Application of Automatic Fragment Modeling in Plastic Pyrolysis
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(134e) Moving from Postdictive to Predictive Kinetics in Reaction Engineering
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(203c) Characterizing Uncertainty and Error in Machine Learning Chemical Property Prediction
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(608d) Exploring Chemistry into Heavy Hydrocarbons: Automatic Fragment Modeling
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(356j) Infrared Spectra Prediction with Machine Learning
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(433e) A Molecular Model for Reactive Fouling in Steam-Cracker Separation Trains
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(3gz) Machine Learning for Novel Molecule IR Spectrum Prediction
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(528c) Machine Learning for Thermodynamic Properties of Materials: Towards the Prediction of Solubility
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(678e) Cooperative Co (0)/Co (II) Sites Stabilized By a Perovskite Matrix Enable Selective C?O and C?C Bond Hydrogenolysis of Oxygenated Arenes
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(38a) Deep Learning of Activation Energies and Automated Reaction Dataset Generation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(499d) Combined Synthesis Planning for Synthetic Drugs on the WHO Essential Medicines List
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(443d) A Machine Learning Based Algorithm for Rate Estimation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(337d) Accurately Predicting Products and Rates of Complex Reacting Systems
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(526g) Reducing Carbon Emissions through Novel Hydrogen Sulfide Processing Strategies to Produce Hydrogen Gas
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(56j) GCxGC-Qms Analysis of Hexylbenzene Pyrolysis
2019 Spring Meeting and 15th Global Congress on Process Safety (ISBN: 978-0-8169-1109-7)
(140b) Learning to Design and Validate Small-Molecule Synthetic Routes from Historical Reaction Data
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(307i) Ember: An Open-Source, Transient Reacting Flow Solver with Applications in Turbulent Flames and Strained Extinction
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(140c) Using Machine Learning to Recommend Reaction Conditions and Quantifying Similarity of Catalysts, Solvents, and Reagents
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(457f) Chemical Mechanism and Kinetics of Cylclopentanone Combustion: A Theoretical and Rmg Approach
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(38g) Thermal Chemistry of Alkylaromatics Reconsidered
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(582cb) Extinction Strain Rate Sensitivity and Calculation for Large Mechanisms
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(428c) Thiohypoiodous Acid (HSI) Formation and Its Role As an Intermediate in H2 Production
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(273b) Estimation of Thermodynamic Properties of Polycyclic Molecules By a Linear Regression Model
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(509f) Hydrogen Generation from Hydrogen Sulfide Decomposition
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(435h) Automatic Discovery of Reaction Paths and Ab Initio/Rrkm-ME Calculations Towards Pyrolysis and Combustion Mechanisms
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(653g) JP-10 Combustion Studies Using Automatic Reaction Mechanism Generation
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(639e) Microfluidics Studies of Hydrocarbon-Water Systems At High Pressure and Temperature
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(555e) Predictive Modeling of Thermal Decomposition of Hydrocarbon Mixtures
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(27e) Revisiting Liquid Phase Oxidation: Addressing Age-Old Mysteries With Computational Chemistry and Kinetic Modeling
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(396a) Investigation of Sorbents for Warm CO2 Capture by Pressure Swing Adsorption
2012 AIChE Annual Meeting
(639c) Evaluation of Reactivities of Various Sulfur Groups in Arabian Heavy Crude During SCW Treatment Using GCxGC-FID/SCD
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(48f) Supercritical Water Treatment of Fractions of Crude Oil: Quantification of the Products
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(639a) Supercritical Water Upgrading of Heavy Oils: Historical Perspective
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(555a) Automated Reaction Mechanism Generation Including Nitrogen As a Heteroatom
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(214h) From Electrons to Engines: Kinetic Modeling of Low-Temperature Hydrocarbon Oxidation and Applications in Engine and Atmospheric Chemistry
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Related Proceedings

2012 AIChE Annual Meeting2013 AIChE Annual Meeting2016 AIChE Annual Meeting2017 Annual Meeting2018 AIChE Annual Meeting2019 AIChE Annual Meeting2019 Spring Meeting and 15th Global Congress on Process Safety2020 Virtual AIChE Annual Meeting2021 Annual Meeting