Green Research Group
Fundamental and Applied Chemical Kinetics
Search
Home
People
Current Members
Alumni
Visiting Scientists
Collaborators
Research
Software
Reaction Mechanism Generator
Arkane
Ring Polymer Molecular Dynamics
GDOC
RPMDrate
Chemprop
RMS
EMBER
EHreact
epsim
templatecorr
Publications
Videos
Biofuels and Ketones
Butanol – Improved Performance through Chemistry
Chemical/Energy Industry Collaborations
Chemistry and the Energy Industry
Integrated Gasification Combined Cycle
Predicting Chemical Reactions
Photos
Positions
Sponsors
Events
Values
White Papers
Publications
2024
2024
Decarbonizing of power plants by ammonia co-firing: design, techno-economic, and life-cycle analyses
2024
2024
Species Selection for Automatic Chemical Kinetic Mechanism Generation
57
2024
2024
Accurately Predicting Barrier Heights for Radical Reactions in Solution using Deep Graph Networks
128
(
39
)
2024
2024
Thermodynamic and Chemical Kinetic Parameters in Ammonia Oxidation: A Comparison of Recent Studies and Parameter Recommendations
38
(
22
)
2024
2024
Transitory Sensitivity in Automated Chemical Kinetic Mechanism Analysis
57
2024
2024
Widespread misinterpretation of pKa data for zwitterionic compounds and its consequences
64
(
23
)
2023
Pang, Hao-Wei
Forsuelo, Michael
Dong, Xiaorui
Hawtof, Ryan E
Ranasinghe, Duminda S
Green, William H
2023
Detailed Multiphase Chemical Kinetic Model for Polymer Fouling in a Distillation Column
Industrial & Engineering Chemistry ResearchIndustrial & Engineering Chemistry Research
2023
Biswas, Sayandeep
Moreno Sader, Kariana
Green, William H
2023
Perspective on Decarbonizing Long-Haul Trucks Using Onboard Dehydrogenation of Liquid Organic Hydrogen Carriers
Energy & Fuels
2023
Biswas, Sayandeep
Chung, Yunsie
Ramirez, Josephine
Wu, Haoyang
Green, William H
2023
Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning
Journal of Chemical Information and Modeling
63
(
15
)
4574 – 4588
2023
Chung, Yunsie
Green, William H
2023
Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods
The Journal of Physical Chemistry A
127
(
27
)
5637 – 5651
2023
Dana, Alon Grinberg
Johnson, Matthew S.
Allen, Joshua W.
Sharma, Sandeep
Raman, Sumathy
Liu, Mengjie
Gao, Connie W.
Grambow, Colin A.
Goldman, Mark J
Ranasinghe, Duminda S
Gillis, Ryan J
Payne, A Mark
Li, Yi-Pei
Dong, Xiaorui
Spiekermann, Kevin A
Wu, Haoyang
Dames, Enoch E.
Buras, Zachary J.
Vandewiele, Nick M.
Yee, Nathan W
Merchant, Shamel S.
Buesser, Beat
Class, Caleb A.
Goldsmith, Franklin
West, Richard H.
Green, William H
2023
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software
International Journal of Chemical Kinetics
55
(
6
)
300 – 323
2023
Liang, Jinhu
He, Ruining
Nagaraja, Shashank S.
Mohamed, A. Abd El-Sabor
Lu, Haitao
Almarzooq, Yousef M.
Dong, Xiaorui
Mathieu, Olivier
Green, William H
Petersen, Eric L.
Sarathy, S. Mani
Curran, Henry J.
2023
A wide range experimental and kinetic modeling study of the oxidation of 2,3-dimethyl-2-butene: Part 1
Combustion and Flame
251
112731
2023
Dong, Xiaorui
Pio, Gianmaria
Arafin, Farhan
Laich, Andrew
Baker, Jessica
Ninnemann, Erik
Vasu, Subith S.
Green, William H
2023
Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments
The Journal of Physical Chemistry A
127
(
14
)
3231 – 3245
2023
Heid, Esther
McGill, Charles J.
Vermeire, Florence H
Green, William H
2023
Characterizing Uncertainty in Machine Learning for Chemistry
Journal of Chemical Information and Modeling
63
(
13
)
4012 – 4029
2023
2023
Comment on “Physics-based representations for machine learning properties of chemical reactions”
4
(
48001
)
2023
2023
On the accuracy of the chemically significant eigenvalue method
159
(
144102
)
2023
2023
ConfSolv: Prediction of solute conformer free energies across a range of solvents
127
2023
2023
Machine Learning Validation via Rational Dataset Sampling with astartes
8
(
5996
)
2023
2023
Experimental Compilation and Computation of Hydration Free Energies for Ionic Solutes
127
2023
2023
Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back
382
(
6677
)
2023
2023
EnzymeMap: Curation, validation and data-driven prediction of enzymatic reactions
14
2022
Kevin P. Greenman
William H. Green
Rafael Gómez-Bombarelli
2022
Multi-fidelity prediction of molecular optical peaks with deep learning
Chemical Science
13
1152-1162
2022
Payne, A Mark
Spiekermann, Kevin A
Green, William H
2022
Detailed Reaction Mechanism for 350–400° C Pyrolysis of an Alkane, Aromatic, and Long-Chain Alkylaromatic Mixture
Energy & Fuels
36
1635-1646
2022
Dyson, Daniel
Vasu, Subith
Arakelyan, Artem
Berube, Nicolas
Briggs, Sydney
Ramirez, Jonnathan
Ninnemann, Erik M
Thurmond, Kyle
Kim, Gihun
Green, William H
2022
Detonation Wave-Induced Breakup and Combustion of RP-2 Fuel Droplets
AIAA SCITECH 2022 Forum
2022
Vermeire, Florence H
Aravindakshan, Syam Ukkandath
Jocher, Agnes
Liu, Mengjie
Chu, Te-Chun
Hawtof, Ryan E
Van de Vijver, Ruben
Prendergast, Matthew B
Van Geem, Kevin M
Green, William H
2022
Detailed Kinetic Modeling for the Pyrolysis of a Jet A Surrogate
Energy & Fuels
36
1304–1315
«
Previous
1
2
3
4
…
15
Next
»
