David Bross is an assistant chemist in the Gas Phase Chemical Physics group in the Chemical Sciences and Engineering Division at Argonne National Laboratory. His research is focused on developing scientific databases to enable data sciences approaches to physical chemistry. This involves generating database schema, data mining the extant literature, and generating interfaces with experimental and computational approaches to generate, process, and validate new data.

Education

• Ph.D. Physical Chemistry, Washington State University, 2015
• B.S. Chemistry, Washington State University, 2009
• B.S. Biochemistry, Washington State University, 2009

Selected Publications

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  D. H. Bross, A. W. Jasper, B. Ruscic, and A. F. Wagner. ​“Toward accurate high temperature anharmonic partition functions”. Proc. Combust. Inst. (2018), accepted.

 

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  B. P. Changala, T. Nguyen, J. Baraban, B. G. Ellison, J. Stanton, D. H. Bross, and B. Ruscic. ​“Active Thermochemical Tables:  The Adiabatic Ionization Energy of Hydrogen Peroxide”. J. Phys. Chem. A, 121, 8799 (2017). Journal Issue Cover.

 

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  D. Feller, D. H. Bross, and B. Ruscic. ” Enthalpy of Formation of N₂H₄ (Hydrazine) Revisited” J. Phys. Chem. A, 121, 6187 (2017).

 

• J.P. Porterfield, D. H. Bross, B. Ruscic, J. H. Thorpe, T. L. Nguyen, J. H. Baraban, J. F. Stanton, J. W. Daily, and G. B. Ellison. ​“Thermal Decomposition of Potential Ester Biofuels. Part 1: Methyl Acetate and Methyl Butanoate.” J. Phys. Chem. A, 121, 4658 (2017).

• D.H. Bross and K.A. Peterson. ​“A theoretical spectroscopy study of the low-lying electronic states of UX and UX⁺, X=F and Cl. ” J. Chem. Phys. 143, 184313 (2015).

• D.H. Bross and K.A. Peterson. ​“Composite Thermochemistry of gas phase U (VI)containing molecules.” J. Chem. Phys. 141, 244308 (2014).

• D.H. Bross, J. Grant Hill, H.J. Werner and K.A. Peterson. ​“Explicitly correlated composite thermochemistry of transition metal species.” J. Chem. Phys. 139, 094302 (2013).

Full publication list available at ORCID.