Wei Xu

About

Wei Xu received her Ph.D. degree from the Department of Computer Science at Stony Brook University in 2012 and holds both M.S. and B.S. degrees in Computer Science from Zhejiang University. She is a Research Professor in the Department of Computer Science at Stony Brook University and has been a staff scientist at the Computational Science Initiative of Brookhaven National Laboratory since 2013. Her current research focuses on Artificial Intelligence and Machine Learning for scientific applications, Explainable and trustworthy AI, Performance evaluation for classical and quantum computing, and Visualization. Previously, she also worked on Virtual Reality, X-ray Imaging, and High-performance computing for medical and scientific domains. Wei Xu was selected as a Women@Energy showcase representative, highlighting female scientists in STEM fields, in 2014. She received the Best Paper Award at the Fully3D associated High Performance Image Reconstruction workshop in 2009.

Research topics

• Materials science
• Chemistry
• Nanotechnology
• Chemical engineering
• Inorganic chemistry
• Organic chemistry
• Physics
• Crystallography
• Environmental chemistry
• Electrical engineering

Selected publications

• CCDC 2382269: Experimental Crystal Structure Determination

  Open MIND · 2026-03-09 · 3 citations

  articleOpen access1st authorCorresponding

  An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  OA PDFDOI

• Atomic interface engineering of ultra-small metastable α-MoC _{1− <i>x</i>} enables electronically modulated Pt catalysts for hydrogen evolution

  Nano Research · 2025-06-09 · 2 citations

  articleOpen access

  The rational design of platinum-based electrocatalysts with optimized metal-support electronic interactions remains a fundamental challenge in achieving atom-efficient hydrogen evolution reaction (HER). This study demonstrates a coordination-driven synthesis strategy to engineer highly dispersed ultra-small α-MoC_1-xanchored on nitrogen-doped carbon frameworks (NC), leveraging the unique metal-organic coordination chemistry between molybdenum species and imidazolate ligands in ZIF-8 p…

  PublisherOA PDFDOI

Frequent coauthors

• José A. Rodríguez

  Brookhaven National Laboratory

  79 shared

• Sanjaya D. Senanayake

  Brookhaven National Laboratory

  71 shared

• Khalil Amine

  Argonne National Laboratory

  43 shared

• Yu‐Sheng Chen

  42 shared

• Qiang Zhang

  36 shared

• C Kim

  36 shared

• R Wallace

  University of Iowa

  36 shared

• Steven J. Koester

  36 shared

Awards & honors

• Women@Energy showcase representing female scientists of STEM…
• Best Paper Award in Fully3D associated High Performance Imag…

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• Xianfeng Guh-58
• Michael Benderh-51