The best is yet to come.



  1. UPNet.webp
    Adaptive catalyst discovery using multicriteria Bayesian optimization with representation learning
    Jie Chen, Pengfei Ou, Yuxin Chang, Hengrui Zhang, Xiao-Yan Li, Edward H. Sargent, and Wei Chen
    arXiv preprint, 2024

Journal Papers


  1. MolSets.webp
    Learning molecular mixture property using chemistry-aware graph neural network
    Hengrui Zhang, Tianxing Lai, Jie Chen, Arumugam Manthiram, James M. Rondinelli, and Wei Chen
    PRX Energy, 2024
  2. wjm-bo.webp
    Bayesian optimization of environmentally sustainable graphene inks produced by wet jet milling
    Lindsay E. Chaney, Anton van Beek, Julia R. Downing, Jinrui Zhang, Hengrui Zhang, Janan Hui, E. Alexander Sorensen, Maryam Khalaj, Jennifer B. Dunn, Wei Chen, and Mark C. Hersam
    Small, 2024


  1. MOF-ML.webp
    Automated crystal system identification from electron diffraction patterns using multiview opinion fusion machine learning
    Jie Chen, Hengrui Zhang, Carolin B. Wahl, Wei Liu, Chad A. Mirkin, Vinayak P. Dravid, Daniel W. Apley, and Wei Chen
    Proceedings of the National Academy of Sciences, 2023
  2. ETAL-Frame.webp
    ET-AL: Entropy-targeted active learning for bias mitigation in materials data
    Hengrui Zhang, Wei Chen, James M. Rondinelli, and Wei Chen
    Applied Physics Reviews, 2023


  1. UAML-BO.webp
    Uncertainty-aware mixed-variable machine learning for materials design
    Hengrui Zhang, Wei Chen, Akshay Iyer, Daniel W. Apley, and Wei Chen
    Scientific Reports, 2022
  2. CuCrCo.webp
    High-throughput investigation of structural evolution upon solid-state in Cu–Cr–Co combinatorial multilayer thin-film
    Jian Hui, Qingyun Hu, Hengrui Zhang, Jie Zhao, Yuxi Luo, Yang Ren, Zhan Zhang, and Hong Wang
    Materials & Design, 2022


  1. AIinMSE.webp
    Demand-driven materials design
    Hengrui Zhang
    Journal of Shanghai Jiao Tong University, 2021


  1. AgCu.webp
    Investigation of synchrotron X-ray induced oxidation of Ag–Cu thin-film
    Jian Hui, Hengrui Zhang, Qingyun Hu, Zhan Zhang, Yang Ren, Lanting Zhang, and Hong Wang
    Materials Letters, 2020


  1. NiTiCu.webp
    High-throughput investigation of crystal-to-glass transformation of Ti–Ni–Cu ternary alloy
    Jian Hui, Haiqian Ma, Zheyu Wu, Zhan Zhang, Yang Ren, Hengrui Zhang, Lanting Zhang, and Hong Wang
    Scientific Reports, 2019