David H. Bross

Argonne National Laboratory — United States

Chemistry · Physical Sciences

16h-index882citations66works1.72yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Chemical Thermodynamics and Molecular Structure(30), Advanced Chemical Physics Studies(27), Machine Learning in Materials Science(13), thermodynamics and calorimetric analyses(10), Phase Equilibria and Thermodynamics(6)

Publications66 total

Theoretically Informed Kinetics (ThInK): Establishing a modern C0-C3 mechanism for combustion modeling
Combustion and Flame·2025· 1 cited
Discrepancies between Theory and Experiment in Determining the Ionization Energy of NF<sub>3</sub>
The Journal of Physical Chemistry A·2025
Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows
The Journal of Physical Chemistry C·2025· 3 cited
Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows
2025Open Access
fortfmt-fix
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2025Open Access
ATcT — Active Thermochemical Tables Python Interface
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2025Open Access
Active Thermochemical Tables: Should the enthalpy of formation of gas phase boron atom be revised?
Chemical Physics Letters·2024· 3 cited
Unifying thermochemistry concepts in computational heterogeneous catalysis
Chemical Society Reviews·2024· 4 citedOpen Access
Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows
2024· 1 cited
Unifying thermochemistry concepts in computational heterogeneous catalysis
2024· 1 citedOpen Access
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry
Faraday Discussions·2024· 9 citedOpen Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.202
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024· 4 citedOpen Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.148
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.176
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.156
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH<sub>3</sub>/Ni(111)
Physical Chemistry Chemical Physics·2024· 4 citedOpen Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.172
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Active Thermochemical Tables (ATcT) Thermochemical Values ver. 1.140
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Methanediol from cloud-processed formaldehyde is only a minor source of atmospheric formic acid
Proceedings of the National Academy of Sciences·2023· 7 citedOpen Access
Pynta─An Automated Workflow for Calculation of Surface and Gas–Surface Kinetics
Journal of Chemical Information and Modeling·2023· 9 citedOpen Access
page 1 of 4Next →

Frequent Co-authors

Branko Ruščić(32), Kirk A. Peterson(9), John F. Stanton(8), Khachik Sargsyan(7), C. Franklin Goldsmith(6), Judit Zádor(6), James H. Thorpe(5), Thanh Lam Nguyen(5), David Feller(5), Matthew S. Johnson(5), Katrín Blöndal(4), Joshua H. Baraban(3), P. Bryan Changala(3), G. Barney Ellison(3), Raghu Sivaramakrishnan(2), Sarah N. Elliott(2), Lawrence B. Harding(2), Stephen J. Klippenstein(2), Ahren W. Jasper(2), Maciej Gierada(2)