Charles Xie has served as the Principal Investigator of 11 NSF-funded projects since 2009. His current research includes computational science, learning science, data mining, machine learning, artificial intelligence, computer-aided design, scientific visualization, virtual reality, mixed reality, Internet of Things, molecular simulation, solar energy engineering and infrared imaging. He has been developing and co-developing Energy2D, Energy3D, Molecular Workbench and Quantum Workbench that have been used by countless students around the world. He is also developing Visual Process Analytics for educational research and assessment of complex learning through scientific inquiry and engineering design. He has invented the Frame, a technology that fuses sensors and simulations to create novel mixed reality and natural user interface applications for teaching science. Charles has authored more than 40 research journal papers and more than 200 technical blog articles.