Publications

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Peer-Reviewed Journal Articles

First and co-first author articles

  1. Shi, Z., Mao, X., Wang, Z., & Ju, Y. (2025). Plasma assisted NH₃/H₂/air ignition in nanosecond discharges with non-equilibrium energy transfer. Combustion and Flame, 275, 114053. DOI

  2. Shi, Z., Mao, X., Thawko, A., & Ju, Y. (2024). Numerical modeling of plasma assisted deflagration to detonation transition in a microscale channel. Proceedings of the Combustion Institute, 40(1–4), 105659. DOI

  3. Shi, Z., Lele, A. D., Jasper, A. W., Klippenstein, S. J., & Ju, Y. (2024). Quasi-classical trajectory calculation of rate constants using an ab initio trained machine learning model (aML-MD) with multifidelity data. The Journal of Physical Chemistry A, 128(17), 3449–3457. DOI

  4. Ji, W.†, Qiu, W.†, Shi, Z.†, Pan, S., & Deng, S. (2021). Stiff-PINN: Physics-informed neural network for stiff chemical kinetics. The Journal of Physical Chemistry A, 125(36), 8098–8106. DOI
    † Equal contribution by W. Ji, W. Qiu, and Z. Shi.

Other peer-reviewed articles

  1. Xu, Y., Chang, Z., Shi, Z., Sun, Z., Burda, H., Wang, W., Liu, N., & Ju, Y. (2025). Enhanced production of active species and NH₃ using non-equilibrium ferroelectric barrier discharge. Nature Communications, 16, 11309. DOI

  2. Lele, A. D., Shi, Z., Khetan, S., Carter, E. A., Martirez, J. M. P., & Ju, Y. (2025). Machine-learned force field for molecular dynamics simulations of nonequilibrium ammonia synthesis on iron catalysts. The Journal of Physical Chemistry C, 129(10), 4937–4949. DOI

  3. Shao, K., Lele, A. D., Shi, Z., Von Miller, V., Ju, Y., & Mesbah, A. (2025). Interpretable attention-based transfer learning in plasma catalysis: a study on the role of surface charge. EES Catalysis, 3(3), 488–504. DOI

  4. Liu, N., Mao, X., Kondratowicz, C., Chen, T. Y., Mei, B., Wang, Z., Xu, Y., Zhong, H., Shi, Z., Morozov, A., Dogariu, A., & Ju, Y. (2024). Unraveling nonequilibrium generation of atomic nitrogen and hydrogen in plasma-aided ammonia synthesis. ACS Energy Letters, 9(5), 2031–2036. DOI

  5. Thawko, A., Cao, Y., Shi, Z., Vorenkamp, M., Wang, Z., Mei, B., Mao, X., & Ju, Y. (2024). Accelerated ignition-shock coupling and deflagration to detonation transition by ozone kinetic enhancement of dimethyl ether mixture. Proceedings of the Combustion Institute, 40(1–4), 105517. DOI

  6. Liu, N., Mei, B., Mao, X., Wang, Z., Sun, Z., Xu, Y., Shi, Z., & Ju, Y. (2024). Kinetics of low temperature plasma assisted NH₃/H₂ oxidation in a nanosecond-pulsed discharge. Proceedings of the Combustion Institute, 40(1–4), 105353. DOI

  7. Vorenkamp, M., Steinmetz, S., Mao, X., Shi, Z., Starikovskiy, A., Ju, Y., & Kliewer, C. (2023). Effect of plasma-enhanced low-temperature chemistry on deflagration-to-detonation transition in a microchannel. AIAA Journal, 61(11), 4821–4827. DOI

Manuscripts in Preparation

  1. Shi, Z., Tsunoda, A., & Ju, Y. Two-dimensional modeling of hybrid nanosecond pulsed and DC discharges for H₂/air ignition.

  2. Shi, Z., Lele, A., Zheng, Y., Kondratowicz, C., Fu, G., Koel, B. E., & Ju, Y. Plasma-generated radicals induce nickel surface nitridation for ammonia synthesis.

  3. Shi, Z., Lele, A., Jasper, A. W., Klippenstein, S. J., & Ju, Y. A unified ab initio-trained machine learning potential for quantitative reaction dynamics of HO₂ + R radical reactions in hydrogen combustion.

  4. Shi, Z., Lele, A., Jasper, A. W., Klippenstein, S. J., & Ju, Y. Ab initio-trained machine learning molecular dynamics for collisional energy transfer in HO₂ + M third-body reactions.

  5. Bao, Y., Shi, Z.*, Cao, Y., Peng, A., Sun, J., Kristenson, E., Shneider, M., & Ju, Y. Single-shot Rayleigh Scattering Imaging of Atmospheric-Pressure Nanosecond-Pulsed Nitrogen Discharge.
    * Corresponding author.