Our comprehensive method development of FB-GNN-MBE, a fragment-based hybrid QM/AI method, was published in The Journal of Chemical Physics and selected for the 2026 JCP Emerging Investigators Special Collection! Our graduate student Siqi Chen was the first author and visiting scholar Zhiqiang Wang …
Siqi published a first-authored paper on FB-GNN-MBE in The Journal of Chemical Physics! Read more »
Xi’s first-authored paper, titled “GNN‑ωPBE: Range-Separation Parameters Learned from Three-Dimensional Structures”, was recently accepted by ACS Organic & Inorganic Au and selected into the 2026 Rising Stars in Organic and Inorganic Chemistry special collection. The paper describes how we creates …
Xi published a first-authored paper on ACS Organic & Inorganic Au as a Rising Star! Read more »
Our proposed collaborative project, titled “GCR: Bioengineered Approaches to Recover Critical Minerals and Produce Sustainable Silicon-Based Materials from Silicon-Rich Wastes“, has received an award of $3,300,000 from National Science Foundation (NSF), Growing Convergence Research (GCR) Program! In this study, we …
Our first graduate student, Hongshan Bi, successfully defended his Ph.D. thesis titled “Atomic-Level Understanding and Design of Catalysts for Surface Redox Reactions” on August 19th, 2026. His innovative and hard work has been greatly appreciated by the committee and the …
Hongshan successfully defended his Ph.D. thesis! Read more »
A paper titled “Electrochemical Nitrate Reduction with Low-Index Cu Single Crystals: Selectivity Trends in Alkaline Solution“, with Hongshan Bi as a co-first author, was published in Journal of the American Chemical Society! In this paper, we collaborated with the group …
Please visit https://websites.umass.edu/zlinqcgroup! The current website will be updated too until it expires.
Our Chemistry graduate student, Xi Cheng, was awarded the PPG fellowship for her study in AI for chemistry. Congratulations to Xi!
Zhou was selected as a recipient of the Fall 2026 OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award in Computational Chemistry from the American Chemical Society to recognize our pioneering contributions to computational spectroscopy. Zhou will give an oral presentation …
Our amazing undergraduate students have won multiple awards! Sophia Perucchi received the Professor Jack Ragle Research Fellowship and the ACS-Hach Foundation Scholarship; Ella Bilge received the Professor Jack Ragle Research Fellowship; Matthew Skarbek Capra received the ACS Undergraduate Award in …
Sophia, Ella, Matthew, and Nikolaus received awards! Read more »
Hongshan Bi has published a paper titled “Active site design enables industrial scale H2O2 electrosynthesis with metal-free catalysts” in Nature Communications as a co-first author. Please read the online version for details. In this paper, he discovered the effective active …