Zhonglin (Johnny)

Zhonglin Cao

I am a PhD student in Mechanical and AI Lab advised by Prof. Amir Barati Farimani.  My research interest lies within the area of combining machine learning with material discovery and physical phenomena prediction. I believe that application of machine learning algorithms will bring research efficiency boost to traditional fields. I received my bachelor of science degree in mechanical engineering from University of Illinois at Urbana-Champaign. During my leisure time, I enjoy skiing and swimming.

Publications

1. Zhonglin Cao, Vincent Liu, A. Barati Farimani  "Water Desalination with Two-Dimensional Metal–Organic Framework Membranes", Nano Letters, 2019, 19, 12, 8638-8643.

2. Zhonglin Cao, Vincent Liu, A. Barati Farimani  "Why is Single-Layer MoS2 a More Energy Efficient Membrane for Water Desalination?", ACS Energy Letters, 2020, 5, 7, 2217–2222

3. Prakarsh Yadav, Zhonglin Cao, A. Barati Farimani, "DNA Detection with Single-Layer Ti3C2 MXene Nanopore", ACS Nano, 2021, 15, 3, 4861–4869.

4. Kazem Meidani, Zhonglin Cao, A. Barati Farimani, "Titanium Carbide MXene for Water Desalination: A Molecular Dynamics Study", ACS Applied Nano Materials,  2021, 4, 6, 6145–6151.


5. Yuyang Wang, Zhonglin Cao,  A. Barati Farimani "Efficient water desalination with graphene nanopores obtained using artificial intelligence" Nature 2D Materials, 2021, 5, Article number: 66.


6. Junwoong Yoon, Zhonglin Cao, Rajesh Raju, Yuyang Wang, Robert Burnley, Andrew J Gellman, A. Barati Farimani and Zachary W Ulissi "Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy", Machine Learning: Science and Technology,  2021, 2 ,045018.


7. Zhonglin Cao, Greta Markey, A. Barati Farimani "Ozark Graphene Nanopore for Efficient Water Desalination", Physical Chemistry B,  2021.


8.Yuyang Wang, Jianren Wang, Zhonglin Cao,  A. Barati Farimani "Molecular Contrastive Learning of Representations via Graph Neural Networks", Nature Machine Intelligence,  2022, 4, 279-287.


9. L. Mei, Zhonglin Cao, T. Ying, R. Yang, H. Peng, G. Wang, L. Zheng, Y. Chen, C. Y. Tang, D. Voiry, H. Wang, A. Barati Farimani , Z. Y. Zeng,"Simultaneous electrochemical exfoliation and covalent functionalization of MoS2 membrane for ion sieving", Advanced Materials,  2022.


10. Zhonglin Cao,  A. Barati Farimani  "Diffusion Mechanism of Water in Conductive Metal-Organic Frameworks", Physical Chemistry Chemical Physics, 2022, 24, 24852-24859 


11. Prakarsh Yadav, P Mollaei, Zhonglin Cao, Yuyang Wang, A. Barati Farimani "Prediction of GPCR activity using machine learning ", Computational and Structural Biotechnology Journal, 2022, 20, 2564-2573.


12. Zhonglin Cao, Prakarsh Yadav,  A. Barati Farimani," Which 2D Material is Better for DNA Detection: Graphene, MoS2, or MXene?", Nano Letters, 2022, 19, 7874–7881.


13.  Zhonglin Cao, Rishikesh Magar, Yuyang Wang, and A. Barati Farimani, "MOFormer: Self-Supervised Transformer Model for Metal–Organic Framework Property Prediction", Journal of the American Chemical Society, 2023 145 (5), 2958-2967