Joshua W. Allen

Massachusetts Institute of Technology — United States

Physics and Astronomy · Physical Sciences

13h-index1.5kcitations20works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Catalysis and Oxidation Reactions(6), Spectroscopy and Quantum Chemical Studies(4), Innovative Microfluidic and Catalytic Techniques Innovation(3), Catalytic Processes in Materials Science(2)

Publications20 total

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software
International Journal of Chemical Kinetics·2023· 39 citedOpen Access
Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software
2022· 16 citedOpen Access
A model for the separation of complex liquid mixtures with glassy polymer membranes: A thermodynamic perspective
Journal of Membrane Science·2022· 24 cited
A Model for the Separation of Complex Liquid Mixtures with Glassy Polymer Membranes: A Thermodynamic Perspective
SSRN Electronic Journal·2021· 2 citedOpen Access
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
Computer Physics Communications·2016· 798 citedOpen Access
A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi
Combustion and Flame·2013· 67 cited
Data from: Coupled Flow and Reaction during Natural Convection PCR
University of Minnesota Digital Conservancy (University of Minnesota)·2013
Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O
The Journal of Chemical Physics·2013· 85 citedOpen Access
Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH[subscript 4] → CH[subscript 3] + H[subscript 2]O
DSpace@MIT (Massachusetts Institute of Technology)·2013Open Access
Predictive chemical kinetics : enabling automatic mechanism generation and evaluation
DSpace@MIT (Massachusetts Institute of Technology)·2013· 14 citedOpen Access
Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones
Physical Chemistry Chemical Physics·2013· 84 cited
RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamics
Computer Physics Communications·2012· 122 cited
ChemInform Abstract: Automatic Reaction Mechanism Generation with Group Additive Kinetics
ChemInform·2012· 10 cited
Reply to comment on “Automatic estimation of pressure-dependent rate coefficients” (J. W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys., 2011, 14, 1131–1155)
Physical Chemistry Chemical Physics·2012· 2 cited
Automatic estimation of pressure-dependent rate coefficients
Physical Chemistry Chemical Physics·2011· 116 cited
Recent advances in automated reaction mechanism construction
Ghent University Academic Bibliography (Ghent University)·2011
Mechanistic Principles of Colloidal Crystal Growth by Evaporation-Induced Convective Steering
Langmuir·2008· 53 cited
Coupled flow and reaction during natural convection PCR
Microfluidics and Nanofluidics·2008· 31 cited
Board Members Term Expires Hometown
2001
Comments on exciton—phonon coupling. II. Variational solutions
Chemical Physics·1979· 17 cited

Frequent Co-authors

William H. Green(11), Connie W. Gao(4), Richard H. West(4), Shamel S. Merchant(3), C. Franklin Goldsmith(2), Yongle Li(2), Hua Guo(2), Yury V. Suleimanov(2), Alon Grinberg Dana(2), Matthew S. Johnson(2), Sandeep Sharma(2), Sumathy Raman(2), Colin A. Grambow(2), Mark J. Goldman(2), Duminda S. Ranasinghe(2), Ryan J. Gillis(2), A. Mark Payne(2), Yi‐Pei Li(2), Enoch Dames(2), Zachary J. Buras(2)