Xiaohui Qu

Dr. Xiaohui Qu is a Researcher at Brookhaven National Laboratory's Center for Functional Nanomaterials (CFN). He specializes in integrating deep learning and data analytics with computational chemistry, focusing on energy storage systems, X-ray absorption spectroscopy, and nanomaterials.

• Education: B.S. in Environmental Engineering (Shandong University, 2004), Ph.D. in Environmental Science (Shandong University, 2009), Postdoc in Physics (Nanyang Technological University, 2011), Postdoc in Chemistry (Universidade Nova de Lisboa, 2013), Postdoc in Materials (Lawrence Berkeley National Lab, 2015).

His research develops intelligent data pipelines for large-scale nanoscience challenges, leveraging deep learning, density functional theory, and in-situ experimental facilities. He explores structure-spectrum relationships, phase evolution in thin films, and kinetic modeling for materials synthesis.

Recent publications emphasize machine learning applications in materials discovery, energy storage, and spectroscopy. Themes include predictive synthesis, quantum computing materials, and high-throughput characterization methodologies.

Dr. Qu leads computational efforts at CFN's Theory/Computation Group, utilizing AI to address frontier problems in nanotechnology and advancing collaborations with state-of-the-art experimental facilities.