Publications

P Postdoc advisee, S Student advisee/co-advisee, * Corresponding author

2019

  1. Kelly,* J. T.; Koplitz, S. N.; Baker, K. R.; Holder, A. L.; Pye, H. O. T.; Murphy, B. N.; Bash, J. O.; Henderson, B. H.; Possiel, N. C.; Simon, H.; Eyth, A. M.; Jang, C.; Phillips, S.; Timin, B., Assessing PM2.5 model performance for the conterminous U.S. with comparison to model performance statistics from 2007-2015, Atmos Environ 2019, 214, 116872. article
  2. Walker,* J.T.; Beachley, G.M.; Amos, H.M.; Baumgardner, R.; Baron, J.S.; Bash, J.;  Bell, M.D.; Benedict, K.B.; Chen, X.; Clow, D.W.; Cole, A.; Coughlin, J.G.; Cruz, K.; Daly, R.W.; Decina, S.M.; Elliott, E.M.; Fenn, M.E.; Ganzeveld, L.; Gebhart, K.; Isil, S.S.; Kerschner, B.M.; Larson, R.S.; Lavery, T.; Lear, G.G.; Macy, T.; Mast, M.A.; Mishoe, K.; Morris, K.H.; Padgett, P.E.; Pouyat, R.V.; Puchalski, M.; Pye, H.O.T.; Rea, A.W.; Rhodes, M.F.; Rogers, C.M.; Saylor, R.; Schichtel, B.A.; Schwede, D.B.; Sexstone, G.A.; Sive, B.C.; Sosa, R.; Templer, P.H.; Thompson, T.; Tong, D.; Wetherbee, G.A.; Whitlow, T.H.; Wu, Z.; Yu, Z.; Zhang, L., Toward the improvement of total nitrogen deposition budgets in the United States, Sci Total Environ 2019, 691, 1328-1352. article
  3. Zare,P A.; Fahey, K.; Sarwar, G.; Cohen,* R.C.; Pye,* H.O.T., Vapor-pressure pathways initiate but hydrolysis products dominate the aerosol estimated from organic nitrates, ACS Earth Space Chem 2019, 3 (8), 1426-1437. article
  4. Riva,* M.; Chen, Y.; Zhang, Y.; Lei, Z.; Olson, N. E.; Boyer Chelmo, H. C.; Narayan, S.; Yee, L. D.; Green, H. S.; Cui, T.; Zhang, Z., Baumann, K.; Fort, M.; Edgerton, E.; Budisulistiorini, S. H.; Rose, C. A.; Ribeiro, I. O.; e Oliveira, R. L.; dos Santos, E. O.; Machado, C. M. D.; Szopa, S.; Zhao, Y.; Alves, E. G.; de Sá, S. S.; Hu, W.; Knipping, E. M.; Shaw, S. L.; Duvoisin Junior, S.; de Souza, R. A. F.; Palm, B. B.;  Jimenez, J. L.; Glasius, M;. Goldstein, A. H.; Pye, H. O. T.; Gold, A.; Turpin, B. J.; Vizuete, W.; Martin, S. T.; Thornton, J. A.; Dutcher, C. S.; Ault,* A. P.; Surratt,* J. D., Increasing isoprene epoxydiol-to-inorganic sulfate aerosol (IEPOX:Sulfinorg) ratio results in extensive conversion of inorganic sulfate to organosulfur forms: Implications for aerosol physciochemical properties, Environ Sci Technol 2019, 53 (15), 8682-8694. article
  5. Schmedding, R.; Ma, M.; Zhang, Y.; Farrell, S.; Pye, H.O.T.; Chen, Y.; Wang, C.; Rasool, Q.Z.; Budisulistiorini, S.H.; Ault, A.P.; Surratt, J.D.; Vizuete,* W., a-pinene-derived organic coatings on acidic sulfate aerosol impacts secondary organic aerosol formation from isoprene in a box model, Atmos Environ 2019, 213, 456-462. article
  6. Pye,* H.O.T.; D’Ambro, E.L.; Lee, B.H.; Schobesberger, S.; Takeuchi,S M.; Zhao, Y.; Lopez-Hilfiker, F.; Liu, J.; Shilling, J.E.; Xing, J.; Mathur, M.; Middlebrook, A.M.; Liao, J.; Welti, A.; Graus, M.; Warneke, C.; de Gouw, J.A.; Holloway, J.S.; Ryerson, T.B.; Pollack, I.B.; Thornton,* J.A., Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation. P Natl Acad Sci USA 2019, . article

2018

  1. Zhao, Y.; Thornton, J.A.; Pye, H.O.T., Quantitative constraints on autoxidation and dimer formation from direct probing of monoterpene-derived peroxy radical chemistry. P Natl Acad Sci USA 2018, 115 (48), 12142-12147. article
  2. Xu, L.; Pye, H. O. T.; He, J.; Chen, Y. L.; Murphy, B. N.; Ng, N. L., Experimental and model estimates of the contributions from biogenic monoterpenes and sesquiterpenes to secondary organic aerosol in the southeastern United States. Atmos Chem Phy 2018, 18 (17), 12613-12637. article
  3. Liu, J.; Russell, L.M.; Ruggeri, G.; Takahama, S.; Claflin, M.S.; Ziemann, P.J; Pye, H.O.T.; Murphy, B.N.; Xu, L.; Ng., N.L.; McKinney, K.A.; Budisulistiorini, S.H.; Bertram, T.H.; Nenes, A.; Surratt, J.D., Regional similarities and NOx-related increases in biogenic secondary organic aerosol in summertime southeastern U.S., J Geophys Res Atmos 2018, 123 (8), 10620–10636. article
  4. Carlton, A. G.; Pye, H. O. T.; Baker, K. R.; Hennigan, C. J., Additional benefits of federal air-quality rules: model estimates of controllable biogenic secondary organic aerosol. Environ Sci Technol 2018, 52 (16), 9254-9265. article
  5. Mao, J. Q.; Carlton, A.; Cohen, R. C.; Brune, W. H.; Brown, S. S.; Wolfe, G. M.; Jimenez, J. L.; Pye, H. O. T.; Ng, N. L.; Xu, L.; McNeill, V. F.; Tsigaridis, K.; McDonald, B. C.; Warneke, C.; Guenther, A.; Alvarado, M. J.; de Gouw, J.; Mickley, L. J.; Leibensperger, E. M.; Mathur, R.; Nolte, C. G.; Portmann, R. W.; Unger, N.; Tosca, M.; Horowitz, L. W., Southeast Atmosphere Studies: learning from model-observation syntheses. Atmos Chem Phys 2018, 18 (4), 2615-2651. article
  6. Zhang, H. F.; Yee, L. D.; Lee, B. H.; Curtis, M. P.; Worton, D. R.; Isaacman-VanWertz, G.; Offenberg, J. H.; Lewandowski, M.; Kleindienst, T. E.; Beaver, M. R.; Holder, A. L.; Lonneman, W. A.; Docherty, K. S.; Jaoui, M.; Pye, H. O. T.; Hu, W. W.; Day, D. A.; Campuzano-Jost, P.; Jimenez, J. L.; Guo, H. Y.; Weber, R. J.; de Gouw, J.; Koss, A. R.; Edgerton, E. S.; Brune, W.; Mohr, C.; Lopez-Hilfiker, F. D.; Lutz, A.; Kreisberg, N. M.; Spielman, S. R.; Hering, S. V.; Wilson, K. R.; Thornton, J. A.; Goldstein, A. H., Monoterpenes are the largest source of summertime organic aerosol in the southeastern United States. P Natl Acad Sci USA 2018, 115 (9), 2038-2043. article
  7. Pye,* H. O. T.; Zuend, A.; Fry, J. L.; Isaacman-VanWertz, G.; Capps, S. L.; Appel, K. W.; Foroutan, H.; Xu, L.; Ng, N. L.; Goldstein, A. H., Coupling of organic and inorganic aerosol systems and the effect on gas-particle partitioning in the southeastern US. Atmos Chem Phys 2018, 18 (1), 357-370. article

2017

  1. Murphy, B. N.; Woody, M. C.; Jimenez, J. L.; Carlton, A. M. G.; Hayes, P. L.; Liu, S.; Ng, N. L.; Russell, L. M.; Setyan, A.; Xu, L.; Young, J.; Zaveri, R. A.; Zhang, Q.; Pye, H. O. T., Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning. Atmos Chem Phys 2017, 17 (18), 11107-11133. article
  2. Appel, K. W.; Napelenok, S. L.; Foley, K. M.; Pye, H. O. T.; Hogrefe, C.; Luecken, D. J.; Bash, J. O.; Roselle, S. J.; Pleim, J. E.; Foroutan, H.; Hutzell, W. T.; Pouliot, G. A.; Sarwar, G.; Fahey, K. M.; Gantt, B.; Gilliam, R. C.; Heath, N. K.; Kang, D. W.; Mathur, R.; Schwede, D. B.; Spero, T. L.; Wong, D. C.; Young, J. O., Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1. Geosci Model Dev 2017, 10 (4), 1703-1732. article
  3. Budisulistiorini,S S. H.; Nenes, A.; Carlton, A. G.; Surratt, J. D.; McNeill,* V. F.; Pye,* H. O. T., Simulating aqueous-phase isoprene-epoxydiol (IEPOX) secondary organic aerosol production during the 2013 Southern Oxidant and Aerosol Study (SOAS). Environ Sci Technol 2017, 51 (9), 5026-5034. article
  4. Fahey, K. M.; Carlton, A. G.; Pye, H. O. T.; Baek, J.; Hutzell, W. T.; Stanier, C. O.; Baker, K. R.; Appel, K. W.; Jaoui, M.; Offenberg, J. H., A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1. Geosci Model Dev 2017, 10 (4), 1587-1605. article
  5. Jathar, S. H.; Woody,S,P M.; Pye, H. O. T.; Baker, K. R.; Robinson, A. L., Chemical transport model simulations of organic aerosol in southern California: model evaluation and gasoline and diesel source contributions. Atmos Chem Phys 2017, 17 (6), 4305-4318. article
  6. Ng, N. L.; Brown, S. S.; Archibald, A. T.; Atlas, E.; Cohen, R. C.; Crowley, J. N.; Day, D. A.; Donahue, N. M.; Fry, J. L.; Fuchs, H.; Griffin, R. J.; Guzman, M. I.; Herrmann, H.; Hodzic, A.; Iinuma, Y.; Jimenez, J. L.; Kiendler-Scharr, A.; Lee, B. H.; Luecken, D. J.; Mao, J. Q.; McLaren, R.; Mutzel, A.; Osthoff, H. D.; Ouyang, B.; Picquet-Varrault, B.; Platt, U.; Pye, H. O. T.; Rudich, Y.; Schwantes, R. H.; Shiraiwa, M.; Stutz, J.; Thornton, J. A.; Tilgner, A.; Williams, B. J.; Zaveri, R. A., Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol. Atmos Chem Phys 2017, 17 (3), 2103-2162. article
  7. Pye,* H. O. T.; Murphy, B. N.; Xu, L.; Ng, N. L.; Carlton, A. G.; Guo, H. Y.; Weber, R.; Vasilakos, P.; Appel, K. W.; Budisulistiorini, S. H.; Surratt, J. D.; Nenes, A.; Hu, W. W.; Jimenez, J. L.; Isaacman-VanWertz, G.; Misztal, P. K.; Goldstein, A. H., On the implications of aerosol liquid water and phase separation for organic aerosol mass. Atmos Chem Phys 2017, 17 (1), 343-369. article

2016

  1. Baker, K. R.; Woody, M. C.; Tonnesen, G. S.; Hutzell, W.; Pye, H. O. T.; Beaver, M. R.; Pouliot, G.; Pierce, T., Contribution of regional-scale fire events to ozone and PM2.5 air quality estimated by photochemical modeling approaches. Atmos Environ 2016, 140, 539-554. article
  2. Woody,S,P M. C.; Baker, K. R.; Hayes, P. L.; Jimenez, J. L.; Koo, B.; Pye,* H. O. T., Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS. Atmos Chem Phys 2016, 16 (6), 4081-4100. article Recipient of a 2016 Computational Exposure Division Best Publication Award
  3. Marais, E. A.; Jacob, D. J.; Jimenez, J. L.; Campuzano-Jost, P.; Day, D. A.; Hu, W.; Krechmer, J.; Zhu, L.; Kim, P. S.; Miller, C. C.; Fisher, J. A.; Travis, K.; Yu, K.; Hanisco, T. F.; Wolfe, G. M.; Arkinson, H. L.; Pye, H. O. T.; Froyd, K. D.; Liao, J.; McNeill, V. F., Aqueous-phase mechanism for secondary organic aerosol formation from isoprene: application to the southeast United States and co-benefit of SO2 emission controls. Atmos Chem Phys 2016, 16 (3), 1603-1618. article

2015

  1. Pye,* H. O. T.; Luecken, D. J.; Xu, L.; Boyd, C. M.; Ng, N. L.; Baker, K. R.; Ayres, B. R.; Bash, J. O.; Baumann, K.; Carter, W. P. L.; Edgerton, E.; Fry, J. L.; Hutzell, W. T.; Schwede, D. B.; Shepson, P. B., Modeling the current and future roles of particulate organic nitrates in the southeastern United States. Environ Sci Technol 2015, 49 (24), 14195-14203. article
  2. Budisulistiorini,S S. H.; Li, X.; Bairai, S. T.; Renfro, J.; Liu, Y.; Liu, Y. J.; McKinney, K. A.; Martin, S. T.; McNeill, V. F.; Pye, H. O. T.; Nenes, A.; Neff, M. E.; Stone, E. A.; Mueller, S.; Knote, C.; Shaw, S. L.; Zhang, Z.; Gold, A.; Surratt,* J. D., Examining the effects of anthropogenic emissions on isoprene-derived secondary organic aerosol formation during the 2013 Southern Oxidant and Aerosol Study (SOAS) at the Look Rock, Tennessee ground site. Atmos Chem Phys 2015, 15 (15), 8871-8888. article
  3. Baker, K. R.; Carlton, A. G.; Kleindienst, T. E.; Offenberg, J. H.; Beaver, M. R.; Gentner, D. R.; Goldstein, A. H.; Hayes, P. L.; Jimenez, J. L.; Gilman, J. B.; de Gouw, J. A.; Woody, M. C.; Pye, H. O. T.; Kelly, J. T.; Lewandowski, M.; Jaoui, M.; Stevens, P. S.; Brune, W. H.; Lin, Y. H.; Rubitschun, C. L.; Surratt, J. D., Gas and aerosol carbon in California: comparison of measurements and model predictions in Pasadena and Bakersfield. Atmos Chem Phys 2015, 15 (9), 5243-5258. article
  4. Gantt,P B.; Hoque,P S.; Fahey, K. M.; Willis, R. D.; Delgado-Saborit, J. M.; Harrison, R. M.; Zhang, K. M.; Jefferson, D. A.; Kalberer, M.; Bunker, K. L.; Conny, J. M.; Bhave, P. V.; Weinstein, J. P.; Pye,* H. O. T., Factors affecting the ambient physicochemical properties of cerium-containing particles generated by nanoparticle diesel fuel additive use. Aerosol Sci Technol 2015, 49 (6), 371-380. article

2014

  1. Gantt,P B.; Hoque,P S.; Willis, R. D.; Fahey, K. M.; Delgado-Saborit, J. M.; Harrison, R. M.; Erdakos, G. B.; Bhave, P. V.; Zhang, K. M.; Kovalcik, K.; Pye,* H. O. T., Near-road modeling and measurement of cerium-containing particles generated by nanoparticle diesel fuel additive use. Environ Sci Technol 2014, 48 (18), 10607-10613. article Recipient of EPA STAA Award
  2. Marais, E. A.; Jacob, D. J.; Guenther, A.; Chance, K.; Kurosu, T. P.; Murphy, J. G.; Reeves, C. E.; Pye, H. O. T., Improved model of isoprene emissions in Africa using Ozone Monitoring Instrument (OMI) satellite observations of formaldehyde: implications for oxidants and particulate matter. Atmos Chem Phys 2014, 14 (15), 7693-7703. article
  3. Jathar, S. H.; Gordon, T. D.; Hennigan, C. J.; Pye, H. O. T.; Pouliot, G.; Adams, P. J.; Donahue, N. M.; Robinson, A. L., Unspeciated organic emissions from combustion sources and their influence on the secondary organic aerosol budget in the United States. P Natl Acad Sci USA 2014, 111 (29), 10473-10478. article
  4. Karambelas, A.; Pye, H. O. T.; Budisulistiorini, S. H.; Surratt, J. D.; Pinder, R. W., Contribution of isoprene epoxydiol to urban organic aerosol: evidence from modeling and measurements. Environ Sci Tech Let 2014, 1 (6), 278-283. article
  5. Henderson, B. H.; Akhtar, F.; Pye, H. O. T.; Napelenok, S. L.; Hutzell, W. T., A database and tool for boundary conditions for regional air quality modeling: description and evaluation. Geosci Model Dev 2014, 7 (1), 339-360. article
  6. Napelenok, S. L.; Simon, H.; Bhave, P. V.; Pye, H. O. T.; Pouliot, G. A.; Sheesley, R. J.; Schauer, J. J., Diagnostic air quality model evaluation of source-specific primary and secondary fine particulate carbon. Environ Sci Technol 2014, 48 (1), 464-473. article

2013

  1. Pye,* H. O. T.; Pinder, R. W.; Piletic, I. R.; Xie, Y.; Capps, S. L.; Lin, Y. H.; Surratt, J. D.; Zhang, Z. F.; Gold, A.; Luecken, D. J.; Hutzell, W. T.; Jaoui, M.; Offenberg, J. H.; Kleindienst, T. E.; Lewandowski, M.; Edney, E. O., Epoxide pathways improve model predictions of isoprene markers and reveal key role of acidity in aerosol formation. Environ Sci Technol 2013, 47 (19), 11056-11064. article Recipient of EPA STAA Award
  2. Jiang, H.; Liao, H.; Pye, H. O. T.; Wu, S.; Mickley, L. J.; Seinfeld, J. H.; Zhang, X. Y., Projected effect of 2000-2050 changes in climate and emissions on aerosol levels in China and associated transboundary transport. Atmos Chem Phys 2013, 13 (16), 7937-7960. article
  3. Appel, K. W.; Pouliot, G. A.; Simon, H.; Sarwar, G.; Pye, H. O. T.; Napelenok, S. L.; Akhtar, F.; Roselle, S. J., Evaluation of dust and trace metal estimates from the Community Multiscale Air Quality (CMAQ) model version 5.0. Geosci Model Dev 2013, 6 (4), 883-899. article
  4. Lin, Y. H.; Zhang, H. F.; Pye, H. O. T.; Zhang, Z. F.; Marth, W. J.; Park, S.; Arashiro, M.; Cui, T. Q.; Budisulistiorini, H.; Sexton, K. G.; Vizuete, W.; Xie, Y.; Luecken, D. J.; Piletic, I. R.; Edney, E. O.; Bartolotti, L. J.; Gold, A.; Surratt, J. D., Epoxide as a precursor to secondary organic aerosol formation from isoprene photooxidation in the presence of nitrogen oxides. P Natl Acad Sci USA 2013, 110 (17), 6718-6723. article

2012

  1. Heald, C. L.; Collett, J. L.; Lee, T.; Benedict, K. B.; Schwandner, F. M.; Li, Y.; Clarisse, L.; Hurtmans, D. R.; Van Damme, M.; Clerbaux, C.; Coheur, P. F.; Philip, S.; Martin, R. V.; Pye, H. O. T., Atmospheric ammonia and particulate inorganic nitrogen over the United States. Atmos Chem Phys 2012, 12 (21), 10295-10312. article
  2. Pye,* H. O. T.; Pouliot, G. A., Modeling the role of alkanes, polycyclic aromatic hydrocarbons, and their oligomers in secondary organic aerosol formation. Environ Sci Technol 2012, 46 (11), 6041-6047. article
  3. Tai, A. P. K.; Mickley, L. J.; Jacob, D. J.; Leibensperger, E. M.; Zhang, L.; Fisher, J. A.; Pye, H. O. T., Meteorological modes of variability for fine particulate matter (PM2.5) air quality in the United States: implications for PM2.5 sensitivity to climate change. Atmos Chem Phys 2012, 12 (6), 3131-3145. article
  4. Henderson, B. H.; Pinder, R. W.; Crooks, J.; Cohen, R. C.; Carlton, A. G.; Pye, H. O. T.; Vizuete, W., Combining Bayesian methods and aircraft observations to constrain the HO•+NO2 reaction rate. Atmos Chem Phys 2012, 12 (2), 653-667. article

2011 and prior

  1. Fisher, J. A.; Jacob, D. J.; Wang, Q. Q.; Bahreini, R.; Carouge, C. C.; Cubison, M. J.; Dibb, J. E.; Diehl, T.; Jimenez, J. L.; Leibensperger, E. M.; Lu, Z. F.; Meinders, M. B. J.; Pye, H. O. T.; Quinn, P. K.; Sharma, S.; Streets, D. G.; van Donkelaar, A.; Yantosca, R. M., Sources, distribution, and acidity of sulfate-ammonium aerosol in the Arctic in winter-spring. Atmos Environ 2011, 45 (39), 7301-7318. article
  2. Pye, H. O. T.; Chan, A. W. H.; Barkley, M. P.; Seinfeld, J. H., Global modeling of organic aerosol: the importance of reactive nitrogen (NOx and NO3). Atmos Chem Phys 2010, 10 (22), 11261-11276. article
  3. Pye, H. O. T.; Seinfeld, J. H., A global perspective on aerosol from low-volatility organic compounds. Atmos Chem Phys 2010, 10 (9), 4377-4401. article
  4. Pye, H. O. T.; Liao, H.; Wu, S.; Mickley, L. J.; Jacob, D. J.; Henze, D. K.; Seinfeld, J. H., Effect of changes in climate and emissions on future sulfate-nitrate-ammonium aerosol levels in the United States. J Geophys Res-Atmos 2009, 114. article
  5. Ng, N. L.; Kwan, A. J.; Surratt, J. D.; Chan, A. W. H.; Chhabra, P. S.; Sorooshian, A.; Pye, H. O. T.; Crounse, J. D.; Wennberg, P. O.; Flagan, R. C.; Seinfeld, J. H., Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO3). Atmos Chem Phys 2008, 8 (14), 4117-4140. article
  6. Johanson, K.; Rabinovich, Y.; Moudgil, B.; Breece, K.; Taylor, H., Relationship between particle scale capillary forces and bulk unconfined yield strength. Powder Technol 2003, 138 (1), 13-17.

OTHER PUBLICATIONS

Appel, W.; Napelenok, S.; Hogrefe, C.; Pouliot, G.; Foley, K.; Roselle, S.; Pleim, J.;  Bash,  J.; Pye, H.; Heath, N.; Murphy, B.; and Mathur, R,  Overview and Evaluation of the Community Multiscale Air Quality (CMAQ) Modeling System Version 5.2. Chapter 11, Air Pollution Modeling and its Application XXV. Springer International Publishing AG, Cham (ZG), Switzerland,  2017, 69-73. article

Mao, J.; Carlton, A.;  Horowitz, L.; Cohen, R. C.; PyeH.; Ng, S.; Trainer, M.; Mickley, L.;  Leibensperger, E. M.; Mathur, R., Southeast Atmosphere Studies Workshop 2015, IGACnews 2015, 55, 22-23. article

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