HKUST Publication

🔮[24] Wang, C., Huang, L., Wei, X., Qin, T., Cheng, L., Zhang, J. Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing. (In preparation, 2025).

🤖[23] Song, Z., Lu, J., Du, Y., Yu, B., Pruyn, T.M., Huang, Y., Guo, K., Luo, X., Qu, Y., Qu, Y., Wang, Y., Wang, H., Guo, J., Gan, J., Shojaee, P., Luo, D., Bran, A.M., Li, G., Zhao, Q., Luo, S.-X. L., Zhang, Y., Zou, X., Zhao, W., Zhang, Y.F., Zhang, W., Zheng, S., Zhang, S., Khan, S.T., Rajabi-Kochi, M., Paradi-Maropakis, S., Baltoiu, T., Xie, F., Chen, T., Huang, K., Luo, W., Fang, M., Yang, X., Cheng, L., He, J., Hassoun, S., Zhang, X., Wang, W., Reddy, C.K., Zhang, C., Zheng, Z., Wang, M., Cong, L., Gomes, C.P., Hsieh, C.-Y., Nandy, A., Schwaller, P., Kulik, H.J., Jia, H., Sun, H., Moosavi, S.M., Duan, C. Evaluating Large Language Models in Scientific Discovery. arXiv:2512.15567. (2025). Link

🔮[22] Chen, Y., Cheng, L., Jing, Y. and Zhong, P. Benchmarking a Foundation Potential against Quantum Chemistry Methods for Predicting Molecular Redox Potentials. arXiv:2510.24063. (2025). Link

🔮[21] Jacobson, G.M., Webb, A.W., Cheng, L., and McCoy, A.B. Diffusion Monte Carlo Study of the Structure and Spectroscopy of H3O-, J. Phys. Chem. A., 2025 Link