Ahmed, A., P. Elvati, and A. Violi. “Size-and Phase-Dependent Structure of Copper(Ii) Oxide Nanoparticles.” RSC Advances 5, no. 44 (2015): 35033–41. https://doi.org/10.1039/c5ra04276c.

Akbar Ali, M., V.T. Dillstrom, J.Y.W. Lai, and A. Violi. “Ab Initio Investigation of the Thermal Decomposition of n -Butylcyclohexane.” Journal of Physical Chemistry A 118, no. 6 (2014): 1067–76. https://doi.org/10.1021/jp4062384.

Akbar Ali, M., and A. Violi. “Reaction Pathways for the Thermal Decomposition of Methyl Butanoate.” Journal of Organic Chemistry 78, no. 12 (2013): 5898–5908. https://doi.org/10.1021/jo400569d.

Chae, K., P. Elvati, and A. Violi. “Effect of Molecular Configuration on Binary Diffusion Coefficients of Linear Alkanes.” Journal of Physical Chemistry B 115, no. 3 (2011): 500–506. https://doi.org/10.1021/jp109042q.

Chae, K., and A. Violi. “Mutual Diffusion Coefficients of Heptane Isomers in Nitrogen: A Molecular Dynamics Study.” Journal of Chemical Physics 134, no. 4 (2011). https://doi.org/10.1063/1.3512918.

———. “Thermal Decomposition of Decalin: An Ab Initio Study.” Journal of Organic Chemistry 72, no. 9 (2007): 3179–85. https://doi.org/10.1021/jo062324x.

———. “Thermal Decomposition of Decalin: An Ab Initio Study.” In 2007 AIChE Annual Meeting, 2007. https://www.scopus.com/inward/record.uri?eid=2-s2.0-58049105937&partnerID=40&md5=f8228214706e06b614ef0ab3f8628703.

Chang, R., and A. Violi. “Insights into the Effect of Combustion-Generated Carbon Nanoparticles on Biological Membranes: A Computer Simulation Study.” Journal of Physical Chemistry B 110, no. 10 (2006): 5073–83. https://doi.org/10.1021/jp0565148.

Choe, S., R. Chang, J. Jeon, and A. Violi. “Molecular Dynamics Simulation Study of a Pulmonary Surfactant Film Interacting with a Carbonaceous Nanoparticle.” Biophysical Journal 95, no. 9 (2008): 4102–14. https://doi.org/10.1529/biophysj.107.123976.

Chung, S.H., and A. Violi. “Insights on the Nanoparticle Formation Process in Counterflow Diffusion Flames.” Carbon 45, no. 12 (2007): 2400–2410. https://doi.org/10.1016/j.carbon.2007.07.003.

———. “Nanoparticle Formation in Counter-Diffusion Flames.” In 2007 AIChE Annual Meeting, 2007. https://www.scopus.com/inward/record.uri?eid=2-s2.0-58049094591&partnerID=40&md5=1257f0a72796a2a7652c581029245f2a.

———. “Nucleation of Fullerenes as a Model for Examining the Formation of Soot.” Journal of Chemical Physics 132, no. 17 (2010). https://doi.org/10.1063/1.3345630.

Chung, S.-H., and A. Violi. “Peri-Condensed Aromatics with Aliphatic Chains as Key Intermediates for the Nucleation of Aromatic Hydrocarbons.” Proceedings of the Combustion Institute 33, no. 1 (2011): 693–700. https://doi.org/10.1016/j.proci.2010.06.038.

Cooke, J.A., M. Bellucci, M.D. Smooke, A. Gomez, A. Violi, T. Faravelli, and E. Ranzi. “Computational and Experimental Study of JP-8, a Surrogate, and Its Components in Counterflow Diffusion Flames.” Proceedings of the Combustion Institute 30, no. 1 (2005): 439–46. https://doi.org/10.1016/j.proci.2004.08.046.

D’Anna, A., and A. Violi. “Detailed Modeling of the Molecular Growth Process in Aromatic and Aliphatic Premixed Flames.” Energy and Fuels 19, no. 1 (2005): 79–86. https://doi.org/10.1021/ef0499675.

Elvati, P., and A. Violi. “Free Energy Calculation of Permeant-Membrane Interactions Using Molecular Dynamics Simulations.” Methods in Molecular Biology 926 (2012): 189–202. https://doi.org/10.1007/978-1-62703-2-1_14.

———. “Thermodynamics of Poly-Aromatic Hydrocarbon Clustering and the Effects of Substituted Aliphatic Chains.” Proceedings of the Combustion Institute 34, no. 1 (2013): 1837–43. https://doi.org/10.1016/j.proci.2012.07.030.

Farooq, A., D.F. Davidson, R.K. Hanson, L.K. Huynh, and A. Violi. “An Experimental and Computational Study of Methyl Ester Decomposition Pathways Using Shock Tubes.” Proceedings of the Combustion Institute 32 I, no. 1 (2009): 247–53. https://doi.org/10.1016/j.proci.2008.06.084.

Fiedler, S., and A. Violi. “Simulating Carbonaceous Pollutant Nanoparticles an Aid to Discovery.” EM: Air and Waste Management Association’s Magazine for Environmental Managers, no. AUGUST (2009): 24–28.

Fiedler, S.L., S. Izvekov, and A. Violi. “The Effect of Temperature on Nanoparticle Clustering.” Carbon 45, no. 9 (2007): 1786–94. https://doi.org/10.1016/j.carbon.2007.05.001.

Fiedler, S.L., and A. Violi. “Simulation of Nanoparticle Permeation through a Lipid Membrane.” Biophysical Journal 99, no. 1 (2010): 144–52. https://doi.org/10.1016/j.bpj.2010.03.039.

Hsu, W.-D., and A. Violi. “Order-Disorder Phase Transformation of Triacylglycerols: Effect of the Structure of the Aliphatic Chains.” Journal of Physical Chemistry B 113, no. 4 (2009): 887–93. https://doi.org/10.1021/jp806440d.

Huynh, L.K., K. Barriger, and A. Violi. “Kinetics Study of the OH + Alkene → H<inf>2</Inf>O + Alkenyl Reaction Class.” Journal of Physical Chemistry A 112, no. 7 (2008): 1436–44. https://doi.org/10.1021/jp077028i.

Huynh, L.K., K.C. Lin, and A. Violi. “Kinetic Modeling of Methyl Butanoate in Shock Tube.” Journal of Physical Chemistry A 112, no. 51 (2008): 13470–80. https://doi.org/10.1021/jp804358r.

Huynh, L.K., and A. Violi. “Ab Initio Study on the Methyl Butanoate Decomposition.” In 2007 AIChE Annual Meeting, 2007. https://www.scopus.com/inward/record.uri?eid=2-s2.0-58049119531&partnerID=40&md5=389ebee1ee54621b37383419a41f08d6.

———. “Thermal Decomposition of Methyl Butanoate: Ab Initio Study of a Biodiesel Fuel Surrogate.” Journal of Organic Chemistry 73, no. 1 (2008): 94–101. https://doi.org/10.1021/jo701824n.

Izvekov, S., and A. Violi. “A Coarse-Grained Molecular Dynamics Study of Carbon Nanoparticle Aggregation.” Journal of Chemical Theory and Computation 2, no. 3 (2006): 504–12. https://doi.org/10.1021/ct060030d.

Izvekov, S., A. Violi, and G.A. Voth. “Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation.” Journal of Physical Chemistry B 109, no. 36 (2005): 17019–24. https://doi.org/10.1021/jp0530496.

Johansson, K.O., J.Y.W. Lai, S.A. Skeen, D.M. Popolan-Vaida, K.R. Wilson, N. Hansen, A. Violi, and H.A. Michelsen. “Soot Precursor Formation and Limitations of the Stabilomer Grid.” Proceedings of the Combustion Institute 35, no. 2 (2015): 1819–26. https://doi.org/10.1016/j.proci.2014.05.033.

Kim, D., J. Martz, and A. Violi. “A Surrogate for Emulating the Physical and Chemical Properties of Conventional Jet Fuel.” Combustion and Flame 161, no. 6 (2014): 1489–98. https://doi.org/10.1016/j.combustflame.2013.12.015.

———. “A Surrogate for Emulating the Physical and Chemical Properties of Jet Fuel.” In 8th US National Combustion Meeting 2013, 3:1933–41, 2013. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84943404199&partnerID=40&md5=f59a9c245aaef36444cc392a46f9a6e3.

Kim, D.H., J.A. Mulholland, D. Wang, and A. Violi. “Pyrolytic Hydrocarbon Growth from Cyclopentadiene.” Journal of Physical Chemistry A 114, no. 47 (2010): 12411–16. https://doi.org/10.1021/jp106749k.

Lai, J.Y.W., P. Elvati, and A. Violi. “Stochastic Atomistic Simulation of Polycyclic Aromatic Hydrocarbon Growth in Combustion.” Physical Chemistry Chemical Physics 16, no. 17 (2014): 7969–79. https://doi.org/10.1039/c4cp00112e.

Lai, J.Y.W., K.C. Lin, and A. Violi. “Biodiesel Combustion: Advances in Chemical Kinetic Modeling.” Progress in Energy and Combustion Science 37, no. 1 (2011): 1–14. https://doi.org/10.1016/j.pecs.2010.03.001.

Lin, K.C., J.Y.W. Lai, and A. Violi. “The Role of the Methyl Ester Moiety in Biodiesel Combustion: A Kinetic Modeling Comparison of Methyl Butanoate and n-Butane.” Fuel 92, no. 1 (2012): 16–26. https://doi.org/10.1016/j.fuel.2011.05.014.

Lin, K.C., and A. Violi. “Natural Convection Heat Transfer of Nanofluids in a Vertical Cavity: Effects of Non-Uniform Particle Diameter and Temperature on Thermal Conductivity.” International Journal of Heat and Fluid Flow 31, no. 2 (2010): 236–45. https://doi.org/10.1016/j.ijheatfluidflow.2009.11.003.

Lowe, J., P. Elvati, and A. Violi. “PAH Dimerization as the First Step to Soot Particle Inception.” In 8th US National Combustion Meeting 2013, 2:1381–90, 2013. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84943395696&partnerID=40&md5=bc1d65e5e239c841453121c6f88cde86.

Lowe, J.S., P. Elvati, and A. Violi. “Towards the Development of a Model for Particle Nucleation.” In Computational Molecular Science and Engineering Forum 2014 - Core Programming Area at the 2014 AIChE Annual Meeting, 185, 2014. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84962228256&partnerID=40&md5=c42427a56f1b58a45a7595687d168628.

Lowe, J.S., J.Y.W. Lai, P. Elvati, and A. Violi. “Towards a Predictive Model for Polycyclic Aromatic Hydrocarbon Dimerization Propensity.” Proceedings of the Combustion Institute 35, no. 2 (2015): 1827–32. https://doi.org/10.1016/j.proci.2014.06.142.

Rotavera, B., J. Zádor, O. Welz, L. Sheps, A.M. Scheer, J.D. Savee, M. Akbar Ali, et al. “Photoionization Mass Spectrometric Measurements of Initial Reaction Pathways in Low-Temperature Oxidation of 2,5-Dimethylhexane.” Journal of Physical Chemistry A 118, no. 44 (2014): 10188–200. https://doi.org/10.1021/jp507811d.

Skeen, S.A., H.A. Michelsen, K.R. Wilson, D.M. Popolan, A. Violi, and N. Hansen. “Near-Threshold Photoionization Mass Spectra of Combustion-Generated High-Molecular-Weight Soot Precursors.” Journal of Aerosol Science 58 (2013): 86–102. https://doi.org/10.1016/j.jaerosci.2012.12.008.

Skeen, S.A., B. Yang, H.A. Michelsen, J.A. Miller, A. Violi, and N. Hansen. “Studies of Laminar Opposed-Flow Diffusion Flames of Acetylene at Low-Pressures with Photoionization Mass Spectrometry.” Proceedings of the Combustion Institute 34, no. 1 (2013): 1067–75. https://doi.org/10.1016/j.proci.2012.06.075.

Violi, A. “Carbonaceous Nanoparticles in Combustion: A Multiscale Perspective.” In AIChE Annual Meeting Conference Proceedings, 2005:10336, 2005. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85006129610&partnerID=40&md5=4001fed318983cf4d5f16167e6535341.

———. “Cyclodehydrogenation Reactions to Cyclopentafused Polycyclic Aromatic Hydrocarbons.” Journal of Physical Chemistry A 109, no. 34 (2005): 7781–87. https://doi.org/10.1021/jp052384r.

———. “Science-Based Model for Particle Formation from Novel Fuels.” In Journal of Physics: Conference Series, Vol. 125, 2008. https://doi.org/10.1088/1742-6596/125/1/012033.

Violi, A., and S. Izvekov. “Soot Primary Particle Formation from Multiscale Coarse-Grained Molecular Dynamics Simulation.” Proceedings of the Combustion Institute 31 I, no. 1 (2007): 529–37. https://doi.org/10.1016/j.proci.2006.07.240.

Violi, A., and A. Venkatnathan. “Combustion-Generated Nanoparticles Produced in a Benzene Flame: A Multiscale Approach.” Journal of Chemical Physics 125, no. 5 (2006). https://doi.org/10.1063/1.2234481.

Violi, A., and G.A. Voth. “A Multi-Scale Computational Approach for Nanoparticle Growth in Combustion Environments.” Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 3726 LNCS (2005): 938–47. https://doi.org/10.1007/11557654_105.

Violi, A., G.A. Voth, and A.F. Sarofim. “The Relative Roles of Acetylene and Aromatic Precursors during Soot Particle Inception.” Proceedings of the Combustion Institute 30, no. 1 (2005): 1343–50. https://doi.org/10.1016/j.proci.2004.08.226.

Wang, D., and A. Violi. “Radical-Molecule Reactions for Aromatic Growth: A Case Study for Cyclopentadienyl and Acenaphthylene.” Journal of Organic Chemistry 71, no. 22 (2006): 8365–71. https://doi.org/10.1021/jo061036y.

Wang, D., A. Violi, D.H. Kim, and J.A. Mullholland. “Formation of Naphthalene, Indene, and Benzene from Cyclopentadiene Pyrolysis: A DFT Study.” Journal of Physical Chemistry A 110, no. 14 (2006): 4719–25. https://doi.org/10.1021/jp053628a.

Yu, X., X. Luo, M. Jansons, D. Kim, J. Martz, and A. Violi. “A Fuel Surrogate Validation Approach Using a JP-8 Fueled Optically Accessible Compression Ignition Engine.” SAE International Journal of Fuels and Lubricants 8, no. 1 (2015): 119–34. https://doi.org/10.4271/2015-01-0906.

Zhang, H.R., A. Violi, E.G. Eddings, and A.F. Sarofim. “An Improvement in Soot Formation Mechanism Using Modified HACA Techniques.” In ACS National Meeting Book of Abstracts, Vol. 231, 2006. https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745283982&partnerID=40&md5=a50963212c44e18b81a2d4b00cd9c365.