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  1. Article

    Open Access

    LigninGraphs: lignin structure determination with multiscale graph modeling

    Lignin is an aromatic biopolymer found in ubiquitous sources of woody biomass. Designing and optimizing lignin valorization processes requires a fundamental understanding of lignin structures. Experimental cha...

    Yifan Wang, Jake Kalscheur, Elvis Ebikade, Qiang Li in Journal of Cheminformatics (2022)

  2. Article

    Open Access

    Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

    Understanding the performance of subnanometer catalysts and how catalyst treatment and exposure to spectroscopic probe molecules change the structure requires accurate structure determination under working con...

    Yifan Wang, Jake Kalscheur, Ya-Qiong Su, Emiel J. M. Hensen in Nature Communications (2021)