Journal Publications

[J19] S. Jiang and M. A. Webb. Physics-guided neural networks for transferable property prediction in architecturally diverse copolymers. Macromolecules, 58(10):4971–4984, 2025.

[J18] Dhamankar*, S. Jiang*, and M. A. Webb. Accelerating multicomponent phase-coexistence calculations with physics-informed neural networks. Molecular Systems Design & Engineering, 10(2):89–101, 2025. *Equal contribution.

[J17] L. D. Gonzalez, J. L. Pulsipher, S. Jiang, A. Mukherjee, T. Soderstrom, and V. M. Zavala. A digital twin simulator of a pastillation process with applications to automatic control based on computer vision. Computers & Chemical Engineering, 201:109205, 2025.

[J16] C. Lucky, S. Jiang, C.-R. Shih, V. M. Zavala, and M. Schreier. Understanding the interplay between electro-catalytic C(sp3)–C(sp3) fragmentation and oxygenation reactions. Nature Catalysis, 7(1):1–11, 2024.

[J15] S. Jiang, A. B. Dieng, and M. A. Webb. Property-guided generation of complex polymer topologies using variational autoencoders. npj Computational Materials, 10(1):139, 2024.

[J14] S. Jiang, S. Qin, R. C. Van Lehn, P. Balaprakash, and V. M. Zavala. Uncertainty quantification for molecular property predictions with graph neural architecture search. Digital Discovery, 3(8):1534–1553, 2024.

[J13] F. Long*, S. Jiang*, E. Bar-Ziv, and V. M. Zavala. Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks. Computers & Chemical Engineering, 181:108516, 2024.

[J12] S. Jiang, N. Bao, A. D. Smith, S. Byndoor, R. C. Van Lehn, M. Mavrikakis, N. L. Abbott, and V. M. Zavala. Scalable extraction of information from spatiotemporal patterns of chemoresponsive liquid crystals using topological descriptors. The Journal of Physical Chemistry C, 127(32):16081–16098, 2023.

[J11] S. Qin, S. Jiang, J. Li, P. Balaprakash, R. C. Van Lehn, and V. M. Zavala. Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium. Digital Discovery, 2(1):138–151, 2023.

[J10] F. Long*, S. Jiang*, A. G. Adekunle, V. M Zavala, and E. Bar-Ziv. Online characterization of mixed plastic waste using machine learning and mid-infrared spectroscopy. ACS Sustainable Chemistry & Engineering, 10(48):16064–16069, 2022.

[J9] N. Bao*, S. Jiang*, A. Smith, J. J. Schauer, M. Mavrikakis, R. C. Van Lehn, V. M. Zavala, and N. L. Abbott. Sensing gas mixtures by analyzing the spatiotemporal optical responses of liquid crystals using 3D convolutional neural networks. ACS sensors, 7(9):2545–2555, 2022.

[J8] S. Jiang, Z. Xu, M. Kamran, S. Zinchik, S. Paheding, A. G. McDonald, E. Bar-Ziv, and V. M. Zavala. Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste. Computers & Chemical Engineering, 155:107547, 2021.

[J7] S. Zinchik, S. Jiang, S. Friis, F. Long, L. Høgstedt, V. M. Zavala, and E. Bar-Ziv. Accurate characterization of mixed plastic waste using machine learning and fast infrared spectroscopy. ACS Sustainable Chemistry & Engineering, 9(42):14143–14151, 2021.

[J6] S. Jiang and V. M. Zavala. Convolutional neural nets in chemical engineering: Foundations, computations, and applications. AIChE Journal, 67(9):e17282, 2021.

[J5] S. Jiang, J. Noh, C. Park, A. D. Smith, N. L. Abbott, and V. M. Zavala. Using machine learning and liquid crystal droplets to identify and quantify endotoxins from different bacterial species. Analyst, 146(4):1224–1233, 2021.

[J4] A. K. Chew, S. Jiang, W. Zhang, V. M. Zavala, and R. C. Van Lehn. Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks. Chemical Science, 11(46):12464–12476, 2020.

[J3] F. Ji, L. Wang, J. Yang, X. Wu, M. Li, S. Jiang, S. Lin, and Z. Chen. Highly compact, free-standing porous electrodes from polymer-derived nanoporous carbons for efficient electrochemical capacitive deionization. Journal of Materials Chemistry A, 7(4):1768–1778, 2019.

[J2] F. Ji, Y. Shi, M. Li, S. Jiang, G. Chen, F. Liu, and Z. Chen. Scalable synthesis of uniform nanosized microporous carbon particles from rigid polymers for rapid ion and molecule adsorption. ACS Applied Materials & Interfaces, 10(30):25429–25437, 2018.

[J1] Y. Shi, H. Tang, S. Jiang, L. V. Kayser, M. Li, F. Liu, F. Ji, D. J. Lipomi, S. P. Ong, and Z. Chen. Understanding the electrochemical properties of naphthalene diimide: implication for stable and high-rate lithium-ion battery electrodes. Chemistry of Materials, 30(10):3508–3517, 2018.