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19) Gissinger, J. R., Jensen, B. D., Wise, K. E. Molecular modeling of reactive systems with REACTER Computer Physics Communications 304, 109287. (2024).
18) Kemppainen, J., Gissinger, J. R., Gowtham, S., Odegard, G.M. LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations. Journal of Chemical Information and Modeling 64, 13, 5108–5126. (2024).
17) Gissinger, J. R., Nikiforov, I., Afshar, Y., Waters, B., Choi, M. K., Karls, D. S., Stukowski, A., Im, W., Heinz, H., Kohlmeyer, A. and Tadmor, E.B. Type Label Framework for Bonded Force Fields in LAMMPS. J. Phys. Chem. B 128, 13, 3282–3297. (2024).
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16) Kemppainen, J., Gallegos, I., Krieg, A. S., Gissinger, J. R., Wise, K. E., Kowalik, M., King, J. A., Odegard, G. M. Evolution of glassy carbon derived from pyrolysis of furan resin. ACS Applied Engineering Materials 1, 10, 2555-2566. (2023).
15) Gallegos, I., Kemppainen, J., Gissinger, J. R., Kowalik, M., van Duin, A., Wise, K. E., Gowtham, S., Odegard, G. M. Establishing physical and chemical mechanisms of polymerization and pyrolysis of phenolic resins for carbon-carbon composites. Carbon Trends 12, 100290. (2023).
14) Barry, M. C., Gissinger, J. R., Chandross, M., Wise, K. E., Kalidindi, S. R., Kumar, S. Voxelized atomic structure framework for materials design and discovery. Computational Materials Science 230, 112431. (2023).
13) Gissinger, J. R., Zavada, S. R., Smith, J. G., Kemppainen, J., Gallegos, I., Odegard, G. M., Siochi, E. J., Wise, K. E. Predicting char yield of high-temperature resins. Carbon 202, 336-347. (2023).
12) Zinchenko, A. Z., Gissinger, J. R., Davis R. H. Flow of a concentrated emulsion with surfactant through a periodic porous medium. Journal of Fluid Mechanics 953, A21. (2022).
11) Gissinger, J. R., Zinchenko, A. Z., Davis R. H. Internal circulation and mixing in tight-squeezing deformable drops. Physical Review E 103, 043106. (2021).
10) Gissinger, J. R., Jensen, B. D., Wise, K. E. REACTER: A heuristic method for reactive molecular dynamics. Macromolecules 53, 22, 9953–9961. (2020).
9) Gissinger, J. R., Zinchenko, A. Z., Davis R. H. Drop squeezing between arbitrary smooth obstacles. Journal of Fluid Mechanics 908, A33. (2020).
8) Gissinger, J. R., Zinchenko, A. Z., Davis, R. H. Drops with insoluble surfactant squeezing through interparticle constrictions. Journal of Fluid Mechanics 878, 324-355. (2019).
7) Pramanik, C., Jamil, T., Gissinger J. R., Guittet, D., Arias‐Monje, P. J., Kumar, S., Heinz, H. Polyacrylonitrile interactions with carbon nanotubes in solution: Conformations and binding as a function of solvent, temperature, and concentration. Advanced Functional Materials 29, 1905247. (2019).
6) Jamil, T., Gissinger, J.R., Garley, A., Saikia, N., Upadhyay, A., Heinz, H. Dynamics of carbohydrate strands in water and interactions with clay minerals: Influence of pH, surface chemistry, and electrolytes. Nanoscale 11, 11183–1119 (2019).
5) Pramanik, C., Nepal, D., Nathanson, M., Gissinger, J. R., Garley, A., Berry, R. J., Davijani, A., A., Kumar, S. & Heinz, H. Molecular engineering of interphases in polymer/carbon nanotube composites to reach the limits of mechanical performance. Composites Science and Technology 166, 86-94. (2018).
4) Gissinger, J. R., Jensen, B. D. & Wise, K. E. Modeling chemical reactions in classical molecular dynamics simulations. Polymer 128, 211–217. (2017).
3) Gissinger, J. R., Pramanik, C., Newcomb, B., Kumar, S. & Heinz, H. Nanoscale structure–property relationships of polyacrylonitrile/CNT composites as a function of polymer crystallinity and CNT diameter. ACS Applied Materials & Interfaces 10, (1), 1017–1027. (2017).
2) Pramanik, C., Gissinger, J. R., Kumar, S. & Heinz, H. Carbon nanotube dispersion in solvents and polymer solutions: Mechanisms, assembly, and preferences. ACS Nano 11, 12805–12816 (2017).
1) Jayakumar, A., Javadekar, A., Gissinger, J. R., Vohs, J. M., Huber, G. W. & Gorte R. J. The stability of direct carbon fuel cells with molten Sb and Sb–Bi alloy anodes. AIChE Journal 59, 3342–3348 (2013).
